Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl- InChIKey
JLDXDLNCKJPNHG-IBGZPJMESA-N- Molecular formula
- C25H21Cl2F3N2O4
- Average molar mass
- 541.3 g/mol
- Monoisotopic mass
- 540.083047
Names & identifiers
- Preferred name
- N-[(2,6-dichlorophenyl)carbonyl]-4-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine methyl ester
- IUPAC
- methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]propanoate
Names & synonyms
N-[(2,6-dichlorophenyl)carbonyl]-4-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine methyl esterSCHEMBL6233757
Database identifiers
- PubChem CID
- 69714407
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 919
Related reactions
4 records
Compound notes
Loading…