N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylbenzamide
Chemical Structure Depiction of
N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylbenzamide
N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylbenzamide
Compound characteristics
| Compound ID: | E157-3435 |
| Compound Name: | N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylbenzamide |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C15 H17 N5 O S |
| Smiles: | CCCCc1nnc2n1nc(NC(c1ccccc1C)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.052 |
| logD: | 2.3391 |
| logSw: | -3.5476 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.373 |
| InChI Key: | ZQJHPCKVRLLJGX-UHFFFAOYSA-N |