rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[3-(1H-tetrazol-1-yl)propanoyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[3-(1H-tetrazol-1-yl)propanoyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[3-(1H-tetrazol-1-yl)propanoyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5163 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[3-(1H-tetrazol-1-yl)propanoyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 490.49 |
| Molecular Formula: | C22 H25 F3 N8 O2 |
| Smiles: | C1CN(CCC1[C@@H]1CN(C[C@H]1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)C(CCn1cnnn1)=O |
| Stereo: | RELATIVE |
| logP: | 0.7625 |
| logD: | 0.7625 |
| logSw: | -2.4564 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.051 |
| InChI Key: | ZLJCWZSANCTAOS-ZWKOTPCHSA-N |