1-{[6-(2-phenylethenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Chemical Structure Depiction of
1-{[6-(2-phenylethenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
1-{[6-(2-phenylethenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0411 |
| Compound Name: | 1-{[6-(2-phenylethenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole |
| Molecular Weight: | 359.41 |
| Molecular Formula: | C18 H13 N7 S |
| Smiles: | C(c1nnc2n1nc(/C=C/c1ccccc1)s2)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.4492 |
| logD: | 2.4481 |
| logSw: | -2.384 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 60.891 |
| InChI Key: | ZNBAVSSBUHDALN-UHFFFAOYSA-N |