3-cyano-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
3-cyano-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]benzamide
3-cyano-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S823-2458 |
| Compound Name: | 3-cyano-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C18 H23 N3 O3 |
| Smiles: | C1COCCC1N1C[C@H]([C@@H](C1)CO)NC(c1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.298 |
| logD: | -2.3122 |
| logSw: | -1.8379 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.173 |
| InChI Key: | NFGVDZKMJVDERS-WBVHZDCISA-N |