5-{[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol
5-{[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8017-5683 |
| Compound Name: | 5-{[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 352.42 |
| Molecular Formula: | C17 H16 N6 O S |
| Smiles: | Cc1ccc(c(c1)n1nc2ccccc2n1)OCc1nnc(n1C)S |
| Stereo: | ACHIRAL |
| logP: | 2.8828 |
| logD: | 2.4583 |
| logSw: | -3.116 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.091 |
| InChI Key: | LRQPAFSZMYHTOD-UHFFFAOYSA-N |