Basic information
- Standard SMILES
C[C@@H](NC(=O)C1(NC(=O)CC(F)(F)F)CC1)c1ccc(-c2cccc(F)c2C(=O)O)cc1- InChIKey
JRCWFYSJTIMNCX-GFCCVEGCSA-N- Molecular formula
- C22H20F4N2O4
- Average molar mass
- 452.4 g/mol
Names & identifiers
- Preferred name
- 3-Fluoro-4'-{(1r)-1-[({1-[(3,3,3-trifluoropropanoyl)amino]cyclopropyl}carbonyl)-amino]ethyl}-1,1'-biphenyl-2-carboxylic acid
- IUPAC
- 2-fluoro-6-[4-[(1R)-1-[[1-(3,3,3-trifluoropropanoylamino)cyclopropanecarbonyl]amino]ethyl]phenyl]benzoic acid
Names & synonyms
3-fluoro-4'-{(1r)-1-[({1-[(3,3,3-trifluoropropanoyl)amino]cyclopropyl}carbonyl)-amino]ethyl}-1,1'-biphenyl-2-carboxylic acidSCHEMBL57837373-fluoro-4'-{(1r)-1-[({1-[(3,3,3-trifluoropropanoyl)amino]cyclopropyl}carbonyl)amino]ethyl}-1,1'-biphenyl-2-carboxylic acid
Database identifiers
- PubChem CID
- 69564068
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 717
Related reactions
2 records
Linked notes
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