2-[3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]quinoline
Chemical Structure Depiction of
2-[3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]quinoline
2-[3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]quinoline
Compound characteristics
| Compound ID: | D727-0895 |
| Compound Name: | 2-[3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]quinoline |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C21 H17 N5 O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc2n1nc(c1ccc3ccccc3n1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.6042 |
| logD: | 3.6042 |
| logSw: | -3.7827 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.03 |
| InChI Key: | SUMNNWXSSQFMPF-UHFFFAOYSA-N |