Basic information
- Standard SMILES
C[C@@H]1CN(CCNC(=O)C2NC(CC(C)(C)C)C(C#N)(c3ccc(Cl)cc3)C2c2cccc(Cl)c2F)C[C@H](C)O1- InChIKey
LAVZGMYVTOTPPU-UDAJGHOISA-N- Molecular formula
- C31H39Cl2FN4O2
- Average molar mass
- 589.6 g/mol
Names & identifiers
- Preferred name
- rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid [2-(cis-2,6-dimethyl-morpholin-4-yl)-ethyl]-amide
- IUPAC
- 3-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
Names & synonyms
LAVZGMYVTOTPPU-UDAJGHOISA-Nrac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid [2-(cis-2,6-dimethyl-morpholin-4-yl)-ethyl]-amide
Database identifiers
- PubChem CID
- 86640313
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 907
Related reactions
1 records
Compound notes
Loading…