6-Methyl-4-oxo-5-(3-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid 4-methanesulfonyl-benzylamide

HCID 86711533
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Basic information

Standard SMILES
Cc1[nH]cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)c1-c1cccc(C(F)(F)F)c1
InChIKey
OFDCWBJTQUDJAU-UHFFFAOYSA-N
Molecular formula
C22H19F3N2O4S
Average molar mass
464.5 g/mol
Monoisotopic mass
464.10176275

Names & identifiers

Preferred name
6-Methyl-4-oxo-5-(3-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid 4-methanesulfonyl-benzylamide
IUPAC
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide

Names & synonyms

6-Methyl-4-oxo-5-(3-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid 4-methanesulfonyl-benzylamideSCHEMBL15485935

Database identifiers

PubChem CID
86711533

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
32

Related reactions

4 records
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Compound notes

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