N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylpropanamide
Chemical Structure Depiction of
N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylpropanamide
N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylpropanamide
Compound characteristics
| Compound ID: | E157-4142 |
| Compound Name: | N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylpropanamide |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | COc1ccc(cc1OC)c1nnc2n1nc(NC(CCc1ccccc1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.2016 |
| logD: | 3.198 |
| logSw: | -3.5357 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.173 |
| InChI Key: | GQBWMQSIOMGIRN-UHFFFAOYSA-N |