Basic information
- Standard SMILES
CN(C)C(=O)c1cc(CCCC(=O)O)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1- InChIKey
SCXPVLHASUYVIR-UHFFFAOYSA-N- Molecular formula
- C27H25F3N2O4
- Average molar mass
- 498.5 g/mol
- Monoisotopic mass
- 498.17664177
Names & identifiers
- Preferred name
- 4-{3-Dimethylcarbamoyl-4-[(4'-trifluoromethylbiphenyl-2-carbonyl)amino]phenyl}butanoic acid
- IUPAC
- 4-[3-(dimethylcarbamoyl)-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]butanoic acid
Names & synonyms
4-{3-dimethylcarbamoyl-4-[(4'-trifluoromethylbiphenyl-2-carbonyl)amino]phenyl}butanoic acidSCHEMBL399742
Database identifiers
- PubChem CID
- 66676366
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 765
Related reactions
1 records
Compound notes
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