Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccccc1)n1cc(Br)cc(NC(=O)c2ccc(C(F)(F)F)cc2)c1=O- InChIKey
WWECCOPXZQZEKP-IBGZPJMESA-N- Molecular formula
- C23H18BrF3N2O4
- Average molar mass
- 523.3 g/mol
Names & identifiers
- Preferred name
- (S)-2-[5-Bromo-2-oxo-3-(4-trifluoromethylbenzoylamino)-2H-pyridin-1-yl]-3-phenylpropionic acid methyl ester
- IUPAC
- methyl (2S)-2-[5-bromo-2-oxo-3-[[4-(trifluoromethyl)benzoyl]amino]-1-pyridinyl]-3-phenylpropanoate
Names & synonyms
SCHEMBL5844410WWECCOPXZQZEKP-IBGZPJMESA-N(S)-2-[5-Bromo-2-oxo-3-(4-trifluoromethylbenzoylamino)-2H-pyridin-1-yl]-3-phenylpropionic acid methyl ester
Database identifiers
- PubChem CID
- 69587645
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 813
Related reactions
2 records
Compound notes
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