N-(2-{5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-(2-{5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,1,3-benzothiadiazole-4-sulfonamide
N-(2-{5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | G718-1333 |
| Compound Name: | N-(2-{5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C18 H18 N6 O2 S2 |
| Smiles: | Cc1cccc(Cc2nc(CCNS(c3cccc4c3nsn4)(=O)=O)n[nH]2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6466 |
| logD: | 3.5775 |
| logSw: | -3.9267 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.557 |
| InChI Key: | SPKFNGWDTCWIAH-UHFFFAOYSA-N |