1-{[6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Chemical Structure Depiction of
1-{[6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
1-{[6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0393 |
| Compound Name: | 1-{[6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole |
| Molecular Weight: | 363.4 |
| Molecular Formula: | C17 H13 N7 O S |
| Smiles: | COc1ccc(cc1)c1nn2c(Cn3c4ccccc4nn3)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.137 |
| logD: | 2.1359 |
| logSw: | -2.3096 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 67.939 |
| InChI Key: | YIBNPYKYQPKVFL-UHFFFAOYSA-N |