rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5140 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 475.51 |
| Molecular Formula: | C24 H28 F3 N5 O2 |
| Smiles: | Cc1c(CN2CCC(CC2)[C@@H]2CN(C[C@H]2C(N)=O)c2ccc(C#N)c(c2)C(F)(F)F)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5292 |
| logD: | 0.6077 |
| logSw: | -3.1039 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.538 |
| InChI Key: | NPDOUAIKGPYFSL-LEWJYISDSA-N |