Basic information
- Standard SMILES
CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2Cl)cc1)C(F)(F)F)C(=O)NC(C#N)Cc1ccc(C#N)cc1F- InChIKey
KPSMBRKQAHQEHH-WLHBAFDUSA-N- Molecular formula
- C31H28ClF5N4O3S
- Average molar mass
- 667.1 g/mol
Names & identifiers
- Preferred name
- (S)-2-[(S)-1-(2'-Chloro-4'-methanesulfonyl-biphenyl-4-yl)-2,2,2-trifluoro-ethylamino]-4-fluoro-4-methyl-pentanoic acid [1-cyano-2-(4-cyano-2-fluoro-phenyl)-ethyl]-amide
- IUPAC
- (2S)-2-[[(1S)-1-[4-(2-chloro-4-methylsulfonylphenyl)phenyl]-2,2,2-trifluoroethyl]amino]-N-[1-cyano-2-(4-cyano-2-fluorophenyl)ethyl]-4-fluoro-4-methylpentanamide
Names & synonyms
(S)-2-[(S)-1-(2'-Chloro-4'-methanesulfonyl-biphenyl-4-yl)-2,2,2-trifluoro-ethylamino]-4-fluoro-4-methyl-pentanoic acid [1-cyano-2-(4-cyano-2-fluoro-phenyl)-ethyl]-amideSCHEMBL2951583
Database identifiers
- PubChem CID
- 42633147
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
1 records
Compound notes
Loading…