rel-(3R,4R)-1-(N-acetylglycyl)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(N-acetylglycyl)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-(N-acetylglycyl)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0439 |
| Compound Name: | rel-(3R,4R)-1-(N-acetylglycyl)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethylpyrrolidine-3-carboxamide |
| Molecular Weight: | 493.53 |
| Molecular Formula: | C24 H30 F3 N5 O3 |
| Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)C(CNC(C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9548 |
| logD: | 0.9548 |
| logSw: | -2.6848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.996 |
| InChI Key: | BYTYCRIBPPOFOW-UXHICEINSA-N |