N-(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,1,3-benzothiadiazole-4-sulfonamide
N-(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | G718-1067 |
| Compound Name: | N-(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C17 H15 F N6 O2 S2 |
| Smiles: | C(CNS(c1cccc2c1nsn2)(=O)=O)c1nc(Cc2ccc(cc2)F)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9835 |
| logD: | 2.9145 |
| logSw: | -3.3804 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.557 |
| InChI Key: | IEQWBKKLLCPAIT-UHFFFAOYSA-N |