rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(propane-1-sulfonyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(propane-1-sulfonyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(propane-1-sulfonyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0008 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(propane-1-sulfonyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 472.53 |
| Molecular Formula: | C21 H27 F3 N4 O3 S |
| Smiles: | CCCS(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(N)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.063 |
| logD: | 2.063 |
| logSw: | -2.9902 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.644 |
| InChI Key: | MDXVYLFKCOUPMW-ZWKOTPCHSA-N |