rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-(propane-2-sulfonyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-(propane-2-sulfonyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-(propane-2-sulfonyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0198 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-(propane-2-sulfonyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 486.56 |
| Molecular Formula: | C22 H29 F3 N4 O3 S |
| Smiles: | CC(C)S(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.4382 |
| logD: | 2.4382 |
| logSw: | -3.0406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.526 |
| InChI Key: | CMDBCXYGCIQYGE-RBUKOAKNSA-N |