N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzenesulfonamide
Chemical Structure Depiction of
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzenesulfonamide
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzenesulfonamide
Compound characteristics
| Compound ID: | J011-0411 |
| Compound Name: | N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzenesulfonamide |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C18 H17 N5 O2 S2 |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNS(c3ccccc3)(=O)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.8228 |
| logD: | 2.8225 |
| logSw: | -3.3741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.728 |
| InChI Key: | VZKRLEUBHDLDQI-UHFFFAOYSA-N |