Basic information
- Standard SMILES
COC(=O)C[C@H](N[S@](=O)C(C)(C)C)c1cccc(F)c1Cl- InChIKey
YVJIRJKUYKXGHE-WIUDPPPLSA-N- Molecular formula
- C14H19ClFNO3S
- Average molar mass
- 335.8 g/mol
Names & identifiers
- Preferred name
- (S)-3-(2-Chloro-3-fluorophenyl)-3-((R)-2-methylpropane-2-sulfinylamino)propionic acid methyl ester
- IUPAC
- methyl (3S)-3-[[(R)-tert-butylsulfinyl]amino]-3-(2-chloro-3-fluorophenyl)propanoate
Names & synonyms
YVJIRJKUYKXGHE-WIUDPPPLSA-N(S)-3-(2-Chloro-3-fluorophenyl)-3-((R)-2-methylpropane-2-sulfinylamino)propionic acid methyl ester
Database identifiers
- PubChem CID
- 68309451
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Related reactions
1 records
Compound notes
Loading…