Basic information
- Standard SMILES
N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)OCc1ccccc1- InChIKey
DKZFGJHNOUYFIN-NRFANRHFSA-N- Molecular formula
- C22H20ClNO2
- Average molar mass
- 365.8 g/mol
Names & identifiers
- Preferred name
- (S)-2-amino-3-(3'-chloro-biphenyl-4-yl)-propionic acid benzyl ester
- IUPAC
- benzyl (2S)-2-amino-3-[4-(3-chlorophenyl)phenyl]propanoate
Names & synonyms
SCHEMBL1768184DKZFGJHNOUYFIN-NRFANRHFSA-N(S)-2-amino-3-(3'-chloro-biphenyl-4-yl)-propionic acid benzyl ester
Database identifiers
- PubChem CID
- 58280537
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 430
Related reactions
10 records
Compound notes
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