rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(3,4-dimethylbenzoyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(3,4-dimethylbenzoyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(3,4-dimethylbenzoyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0018 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(3,4-dimethylbenzoyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C27 H29 F3 N4 O2 |
| Smiles: | Cc1ccc(cc1C)C(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: | 3.7242 |
| logD: | 3.7242 |
| logSw: | -4.0411 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.416 |
| InChI Key: | IVKUCCVJTGZYQU-PKTZIBPZSA-N |