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1-methyl-8-(2-methylpropyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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ChemBase ID:
321064
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Molecular Formular:
C18H26N4O2
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Molecular Mass:
330.42464
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Monoisotopic Mass:
330.20557609
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SMILES and InChIs
SMILES:
N1(C(=O)N(C2(C1=O)CCN(CC2)CC(C)C)C)Cc1cnccc1
Canonical SMILES:
CC(CN1CCC2(CC1)N(C)C(=O)N(C2=O)Cc1cccnc1)C
InChI:
InChI=1S/C18H26N4O2/c1-14(2)12-21-9-6-18(7-10-21)16(23)22(17(24)20(18)3)13-15-5-4-8-19-11-15/h4-5,8,11,14H,6-7,9-10,12-13H2,1-3H3
InChIKey:
AEPWZEWNPOHURW-UHFFFAOYSA-N
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Cite this record
CBID:321064 http://www.chembase.cn/molecule-321064.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-methyl-8-(2-methylpropyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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IUPAC Traditional name
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1-methyl-8-(2-methylpropyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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Synonyms
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8-isobutyl-1-methyl-3-(3-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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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)
H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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-2.4700572
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LogD (pH = 7.4)
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-1.1686112
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Log P
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1.0031888
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Molar Refractivity
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92.5303 cm3
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Polarizability
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35.85726 Å3
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Polar Surface Area
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56.75 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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4
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H Donor
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0
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Log P
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0.77
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LOG S
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-2.03
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Polar Surface Area
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56.75 Å2
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Rotatable Bonds
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3
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent