Basic information
- Standard SMILES
Cc1c(N[C@@H](C(=O)O)[C@H](OCc2ccccc2)C(F)(F)F)ccc(C#N)c1Cl- InChIKey
MHVBKUPZOGJNTM-SJORKVTESA-N- Molecular formula
- C19H16ClF3N2O3
- Average molar mass
- 412.8 g/mol
- Monoisotopic mass
- 412.0801546
Names & identifiers
- Preferred name
- (2R,3S)-3-(benzyloxy)-2-(3-chloro-4-cyano-2-methylphenylamino)-4,4,4-trifluorobutanoic acid
- IUPAC
- (2R,3S)-2-(3-chloro-4-cyano-2-methylanilino)-4,4,4-trifluoro-3-phenylmethoxybutanoic acid
Names & synonyms
(2R,3S)-3-(benzyloxy)-2-(3-chloro-4-cyano-2-methylphenylamino)-4,4,4-trifluorobutanoic acidSCHEMBL221856
Database identifiers
- PubChem CID
- 66624928
- Nikkaji
- J2.882.329K
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 575
Related reactions
2 records
Compound notes
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