Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@H](N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN1Cc1cccc(Cl)c1- InChIKey
HQQMUHOCRLWWLO-PMACEKPBSA-N- Molecular formula
- C23H23ClF6N2O2
- Average molar mass
- 508.9 g/mol
Names & identifiers
- Preferred name
- (2S,4S)-4-[(3,5-Bis-trifluoromethyl-benzyl)-methyl-amino]-1-(3-chloro-benzyl)-pyrrolidine-2-carboxylic acid methyl ester
- IUPAC
- methyl (2S,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-1-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxylate
Names & synonyms
(2S,4S)-4-[(3,5-Bis-trifluoromethyl-benzyl)-methyl-amino]-1-(3-chloro-benzyl)-pyrrolidine-2-carboxylic acid methyl esterSCHEMBL2819550
Database identifiers
- PubChem CID
- 86625307
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 669
Related reactions
1 records
Compound notes
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