N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(thian-4-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(thian-4-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(thian-4-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S823-2869 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(thian-4-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 320.45 |
| Molecular Formula: | C17 H24 N2 O2 S |
| Smiles: | C1CSCCC1N1C[C@H]([C@@H](C1)CO)NC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1997 |
| logD: | -1.4011 |
| logSw: | -2.0207 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.208 |
| InChI Key: | YXUSCBYLEVYYHO-GOEBONIOSA-N |