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N-(diphenylmethyl)-2-ethyl-6-methyl-4-oxo-1-(thiophen-2-ylmethyl)-1,4-dihydropyridine-3-carboxamide

ChemBase ID: 322413
Molecular Formular: C27H26N2O2S
Molecular Mass: 442.57254
Monoisotopic Mass: 442.17149908
SMILES and InChIs

SMILES:
c1(c(n(c(cc1=O)C)Cc1sccc1)CC)C(=O)NC(c1ccccc1)c1ccccc1
Canonical SMILES:
CCc1c(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)cc(n1Cc1cccs1)C
InChI:
InChI=1S/C27H26N2O2S/c1-3-23-25(24(30)17-19(2)29(23)18-22-15-10-16-32-22)27(31)28-26(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-17,26H,3,18H2,1-2H3,(H,28,31)
InChIKey:
DSWOYJYQVNEKDM-UHFFFAOYSA-N

Cite this record

CBID:322413 http://www.chembase.cn/molecule-322413.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(diphenylmethyl)-2-ethyl-6-methyl-4-oxo-1-(thiophen-2-ylmethyl)-1,4-dihydropyridine-3-carboxamide
IUPAC Traditional name
N-(diphenylmethyl)-2-ethyl-6-methyl-4-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carboxamide
Synonyms
N-(diphenylmethyl)-2-ethyl-6-methyl-4-oxo-1-(2-thienylmethyl)-1,4-dihydro-3-pyridinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.95794  H Acceptors
H Donor LogD (pH = 5.5) 5.7335114 
LogD (pH = 7.4) 5.7335105  Log P 5.733512 
Molar Refractivity 132.2644 cm3 Polarizability 49.62866 Å3
Polar Surface Area 49.41 Å2 Rotatable Bonds
Lipinski's Rule of Five false 
H Acceptors H Donor
Log P 4.09  LOG S -7.09 
Polar Surface Area 51.1 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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