N-(2,1,3-benzothiadiazol-4-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,1,3-benzothiadiazol-4-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,1,3-benzothiadiazol-4-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8415-04433 |
| Compound Name: | N-(2,1,3-benzothiadiazol-4-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C16 H13 N7 O S2 |
| Smiles: | Cn1c(c2ccncc2)nnc1SCC(Nc1cccc2c1nsn2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9967 |
| logD: | 1.9952 |
| logSw: | -2.0581 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.883 |
| InChI Key: | AOUNPIQRVMGIDF-UHFFFAOYSA-N |