Basic information
- Standard SMILES
CC(C)(C)C[C@@H]1N[C@@H](C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F- InChIKey
ZIKRVUFTWBKZEZ-QJHOQPRMSA-N- Molecular formula
- C33H40Cl2F2N4O3
- Average molar mass
- 649.6 g/mol
- Monoisotopic mass
- 648.2445529
Names & identifiers
- Preferred name
- Rac-4-{[(2r,3s,4r,5s)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carbonyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[[(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2152490ZIKRVUFTWBKZEZ-QJHOQPRMSA-Nrac-4-{[(2r,3s,4r,5s)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carbonyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59249674
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
2 records
Compound notes
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