Basic information
- Standard SMILES
COc1cc(Cl)ccc1C1(C#N)C(CC(C)(C)C)NC(C(=O)NCC[C@H](O)CO)C1c1cccc(Cl)c1- InChIKey
CEBFXDHDGMXRQK-ODCRROIESA-N- Molecular formula
- C28H35Cl2N3O4
- Average molar mass
- 548.5 g/mol
Names & identifiers
- Preferred name
- rac-(2S,3R,4R,5S)-4-(4-chloro-2-methoxy-phenyl)-3-(3-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid ((S)-3,4-dihydroxy-butyl)-amide
- IUPAC
- 4-(4-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
Names & synonyms
CEBFXDHDGMXRQK-ODCRROIESA-Nrac-(2S,3R,4R,5S)-4-(4-chloro-2-methoxy-phenyl)-3-(3-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid ((S)-3,4-dihydroxy-butyl)-amide
Database identifiers
- PubChem CID
- 86640329
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 815
Related reactions
1 records
Compound notes
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