Basic information
- Standard SMILES
COC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@](C#N)(c3ccc(Cl)cc3F)[C@H]2c2ccc(F)c(Cl)c2)cc1- InChIKey
MFFWZGFKSMTJAY-QZIGDIDDSA-N- Molecular formula
- C31H29Cl2F2N3O3
- Average molar mass
- 600.5 g/mol
Names & identifiers
- Preferred name
- Rac-4-{[(2r,3r,4r,5s)-3-(3-chloro-4-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carbonyl]-amino}-benzoic acid methyl ester
- IUPAC
- methyl 4-[[(2R,3R,4R,5S)-3-(3-chloro-4-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]benzoate
Names & synonyms
SCHEMBL2152452MFFWZGFKSMTJAY-QZIGDIDDSA-Nrac-4-{[(2r,3r,4r,5s)-3-(3-chloro-4-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carbonyl]-amino}-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 59249384
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 995
Related reactions
2 records
Compound notes
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