rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0011 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 488.51 |
| Molecular Formula: | C25 H27 F3 N4 O3 |
| Smiles: | Cc1cc(C(N2C[C@@H](C3CCN(CC3)c3ccc(C#N)c(c3)C(F)(F)F)[C@@H](C2)C(N)=O)=O)c(C)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8251 |
| logD: | 2.8251 |
| logSw: | -3.2013 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.163 |
| InChI Key: | IZTYJSROHBUVIS-RTWAWAEBSA-N |