1-{2-Chloro-5-[(S)-1-(4-chloro-3-methyl-phenyl)-2,2,2-trifluoro-ethylamino]-benzyl}-3-methyl-azetidine-3-carboxylic acid
Basic information
- Standard SMILES
Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C)(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl- InChIKey
VGTFMTHTPBCABR-SFHVURJKSA-N- Molecular formula
- C21H21Cl2F3N2O2
- Average molar mass
- 461.3 g/mol
Names & identifiers
- Preferred name
- 1-{2-Chloro-5-[(S)-1-(4-chloro-3-methyl-phenyl)-2,2,2-trifluoro-ethylamino]-benzyl}-3-methyl-azetidine-3-carboxylic acid
- IUPAC
- 1-[[2-chloro-5-[[(1S)-1-(4-chloro-3-methylphenyl)-2,2,2-trifluoroethyl]amino]phenyl]methyl]-3-methylazetidine-3-carboxylic acid
Names & synonyms
1-{2-Chloro-5-[(S)-1-(4-chloro-3-methyl-phenyl)-2,2,2-trifluoro-ethylamino]-benzyl}-3-methyl-azetidine-3-carboxylic acidSCHEMBL2238835CHEMBL3671072BDBM127567US8791100, 65
Database identifiers
- PubChem CID
- 53339656
- ChEMBL
CHEMBL3671072
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
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Related reactions
1 records
Compound notes
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