rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-[1-(ethanesulfonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-[1-(ethanesulfonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-[1-(ethanesulfonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5281 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-[1-(ethanesulfonyl)piperidin-4-yl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 498.57 |
| Molecular Formula: | C23 H29 F3 N4 O3 S |
| Smiles: | CCS(N1CCC(CC1)[C@@H]1CN(C[C@H]1C(NC1CC1)=O)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.6899 |
| logD: | 2.6899 |
| logSw: | -3.2563 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.055 |
| InChI Key: | ATHBDEINGGLAIE-UXHICEINSA-N |