rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(methylsulfanyl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(methylsulfanyl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(methylsulfanyl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5082 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(methylsulfanyl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 454.51 |
| Molecular Formula: | C21 H25 F3 N4 O2 S |
| Smiles: | CSCC(N1CCC(CC1)[C@@H]1CN(C[C@H]1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 2.2065 |
| logD: | 2.2065 |
| logSw: | -2.9943 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.16 |
| InChI Key: | GPZAGKPHOWHKDX-SJORKVTESA-N |