rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0058 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 478.51 |
| Molecular Formula: | C24 H29 F3 N4 O3 |
| Smiles: | C1COCCC1C(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(N)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0814 |
| logD: | 2.0814 |
| logSw: | -3.0081 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.516 |
| InChI Key: | STVJQLUSWPNOLJ-UXHICEINSA-N |