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N-(3,4-dimethoxyphenyl)-3-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide
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ChemBase ID:
195591
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Molecular Formular:
C24H23NO6
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Molecular Mass:
421.44252
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Monoisotopic Mass:
421.15253746
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SMILES and InChIs
SMILES:
c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CCC(=O)Nc1cc(c(cc1)OC)OC
Canonical SMILES:
COc1cc(ccc1OC)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
InChI:
InChI=1S/C24H23NO6/c1-13-12-30-20-11-21-18(10-17(13)20)14(2)16(24(27)31-21)6-8-23(26)25-15-5-7-19(28-3)22(9-15)29-4/h5,7,9-12H,6,8H2,1-4H3,(H,25,26)
InChIKey:
UQMQZTVSDJRSDN-UHFFFAOYSA-N
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Cite this record
CBID:195591 http://www.chembase.cn/molecule-195591.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-(3,4-dimethoxyphenyl)-3-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide
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IUPAC Traditional name
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N-(3,4-dimethoxyphenyl)-3-{3,5-dimethyl-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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14.304059
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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3.8387043
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LogD (pH = 7.4)
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3.8387043
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Log P
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3.8387043
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Molar Refractivity
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116.1411 cm3
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Polarizability
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45.032055 Å3
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Polar Surface Area
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87.0 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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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