Basic information
- Standard SMILES
Cc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cn1C(C)c1ccc(C#N)cc1- InChIKey
AUMPIRRWQQPOHO-UHFFFAOYSA-N- Molecular formula
- C31H27F2N3O4S
- Average molar mass
- 575.6 g/mol
- Monoisotopic mass
- 575.16903385
Names & identifiers
- Preferred name
- 1-[1-(4-Cyano-phenyl)-ethyl]-5-(3-difluoromethyl-phenyl)-6-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid 4-methanesulfonyl-benzylamide
- IUPAC
- 1-[1-(4-cyanophenyl)ethyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxopyridine-3-carboxamide
Names & synonyms
1-[1-(4-Cyano-phenyl)-ethyl]-5-(3-difluoromethyl-phenyl)-6-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid 4-methanesulfonyl-benzylamideSCHEMBL15486106
Database identifiers
- PubChem CID
- 86711545
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
1 records
Compound notes
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