4-(2H-1,3-benzodioxol-5-yl)-5-{[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-{[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
4-(2H-1,3-benzodioxol-5-yl)-5-{[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8018-1413 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-{[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C22 H16 N6 O2 S |
| Smiles: | C(c1nnc(n1c1ccc2c(c1)OCO2)S)n1c2ccccc2nc1c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.218 |
| logD: | 1.9587 |
| logSw: | -3.2326 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.526 |
| InChI Key: | SMQROSWDFOCERK-UHFFFAOYSA-N |