2-(2-acetamido-2-deoxyhexopyranosyl)-4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
2-(2-acetamido-2-deoxyhexopyranosyl)-4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
2-(2-acetamido-2-deoxyhexopyranosyl)-4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8019-5460 |
| Compound Name: | 2-(2-acetamido-2-deoxyhexopyranosyl)-4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C18 H23 N5 O5 S |
| Smiles: | CC(N[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1N1C(N(CC=C)C(c2ccncc2)=N1)=S)O)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.3763 |
| logD: | -0.38 |
| logSw: | -1.3341 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.321 |
| InChI Key: | JJHZDSDBHZTDEF-XGYYKPKNSA-N |