N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(thian-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(thian-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(thian-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | S823-3295 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(thian-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide |
| Molecular Weight: | 321.44 |
| Molecular Formula: | C16 H23 N3 O2 S |
| Smiles: | C1CSCCC1N1C[C@H]([C@@H](C1)CO)NC(c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0557 |
| logD: | -2.5451 |
| logSw: | -1.4394 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.637 |
| InChI Key: | IEJAEFIAQYCPEH-DZGCQCFKSA-N |