4-(2H-1,3-benzodioxol-5-yl)-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol
4-(2H-1,3-benzodioxol-5-yl)-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8018-4319 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C17 H15 N3 O3 S |
| Smiles: | COc1ccc(Cc2nnc(n2c2ccc3c(c2)OCO3)S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8568 |
| logD: | 1.5975 |
| logSw: | -3.2118 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.093 |
| InChI Key: | WXMGIEHBWJKEMU-UHFFFAOYSA-N |