(S)-4'-((2,3-dimethyl-5-((1-(4-(trifluoromethyl)phenyl)ethyl)carbamoyl)-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid
Basic information
- Standard SMILES
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)cc12- InChIKey
SNDORDPXFWQYTN-NRFANRHFSA-N- Molecular formula
- C34H29F3N2O3
- Average molar mass
- 570.6 g/mol
- Monoisotopic mass
- 570.21302728
Names & identifiers
- Preferred name
- (S)-4'-((2,3-dimethyl-5-((1-(4-(trifluoromethyl)phenyl)ethyl)carbamoyl)-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid
- IUPAC
- 2-[4-[[2,3-dimethyl-5-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
Names & synonyms
(S)-4'-((2,3-dimethyl-5-((1-(4-(trifluoromethyl)phenyl)ethyl)carbamoyl)-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acidSCHEMBL14120292
Database identifiers
- PubChem CID
- 53389237
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 927
Related reactions
1 records
Compound notes
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