N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(thian-4-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(thian-4-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(thian-4-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S823-7016 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(thian-4-yl)pyrrolidin-3-yl]pyridine-3-carboxamide |
| Molecular Weight: | 321.44 |
| Molecular Formula: | C16 H23 N3 O2 S |
| Smiles: | C1CSCCC1N1C[C@H]([C@@H](C1)CO)NC(c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1167 |
| logD: | -2.4841 |
| logSw: | -1.3352 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.726 |
| InChI Key: | QAIAYPVWXQKPPB-DZGCQCFKSA-N |