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N-(2,3-dimethylphenyl)-3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide
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ChemBase ID:
195632
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Molecular Formular:
C25H25NO4
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Molecular Mass:
403.4703
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Monoisotopic Mass:
403.17835829
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SMILES and InChIs
SMILES:
c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CCC(=O)Nc1c(c(ccc1)C)C
Canonical SMILES:
O=C(Nc1cccc(c1C)C)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
InChI:
InChI=1S/C25H25NO4/c1-13-7-6-8-21(14(13)2)26-24(27)10-9-18-16(4)20-11-19-15(3)17(5)29-22(19)12-23(20)30-25(18)28/h6-8,11-12H,9-10H2,1-5H3,(H,26,27)
InChIKey:
PIYYVWRGQMBKDS-UHFFFAOYSA-N
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Cite this record
CBID:195632 http://www.chembase.cn/molecule-195632.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-(2,3-dimethylphenyl)-3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide
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IUPAC Traditional name
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N-(2,3-dimethylphenyl)-3-{2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl}propanamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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14.362111
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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5.380451
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LogD (pH = 7.4)
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5.380451
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Log P
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5.380451
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Molar Refractivity
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118.4468 cm3
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Polarizability
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45.290817 Å3
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Polar Surface Area
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68.54 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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false
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Classification
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Derivatives & analogs of Natural Compounds
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent