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3-(2-oxoimidazolidin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)benzamide
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ChemBase ID:
320558
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Molecular Formular:
C23H24N4O2
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Molecular Mass:
388.46226
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Monoisotopic Mass:
388.18992603
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SMILES and InChIs
SMILES:
[nH]1c2c(c3c1ccc(c3)CNC(=O)c1cc(N3C(=O)NCC3)ccc1)CCCC2
Canonical SMILES:
O=C1NCCN1c1cccc(c1)C(=O)NCc1ccc2c(c1)c1CCCCc1[nH]2
InChI:
InChI=1S/C23H24N4O2/c28-22(16-4-3-5-17(13-16)27-11-10-24-23(27)29)25-14-15-8-9-21-19(12-15)18-6-1-2-7-20(18)26-21/h3-5,8-9,12-13,26H,1-2,6-7,10-11,14H2,(H,24,29)(H,25,28)
InChIKey:
BAPDDUUUMZCSMF-UHFFFAOYSA-N
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Cite this record
CBID:320558 http://www.chembase.cn/molecule-320558.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(2-oxoimidazolidin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)benzamide
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IUPAC Traditional name
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3-(2-oxoimidazolidin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
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Synonyms
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3-(2-oxoimidazolidin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)benzamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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14.557041
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H Acceptors
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2
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H Donor
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3
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LogD (pH = 5.5)
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2.907527
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LogD (pH = 7.4)
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2.9075272
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Log P
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2.9075272
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Molar Refractivity
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112.8292 cm3
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Polarizability
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43.3993 Å3
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Polar Surface Area
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77.23 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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2
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H Donor
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3
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Log P
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2.93
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LOG S
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-4.53
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Polar Surface Area
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77.23 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent