4-{rel-(3R,4R)-4-carbamoyl-1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}-N-(2-methoxyethyl)piperidine-1-carboxamide
Chemical Structure Depiction of
4-{rel-(3R,4R)-4-carbamoyl-1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}-N-(2-methoxyethyl)piperidine-1-carboxamide
4-{rel-(3R,4R)-4-carbamoyl-1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}-N-(2-methoxyethyl)piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S954-5136 |
| Compound Name: | 4-{rel-(3R,4R)-4-carbamoyl-1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}-N-(2-methoxyethyl)piperidine-1-carboxamide |
| Molecular Weight: | 467.49 |
| Molecular Formula: | C22 H28 F3 N5 O3 |
| Smiles: | COCCNC(N1CCC(CC1)[C@@H]1CN(C[C@H]1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 1.7712 |
| logD: | 1.7712 |
| logSw: | -2.7809 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.014 |
| InChI Key: | XASQFBGRANPFLY-ZWKOTPCHSA-N |