1-{[6-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Chemical Structure Depiction of
1-{[6-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
1-{[6-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Compound characteristics
Compound ID: | D064-0392 |
Compound Name: | 1-{[6-(3-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: | COc1cccc(c1)c1nn2c(Cn3c4ccccc4nn3)nnc2s1 |
Stereo: | ACHIRAL |
logP: | 2.1976 |
logD: | 2.1965 |
logSw: | -2.3712 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 67.939 |
InChI Key: | RTNKFVVXJBHIGP-UHFFFAOYSA-N |