2-[(4-chlorophenyl)sulfanyl]-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[(4-chlorophenyl)sulfanyl]-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
2-[(4-chlorophenyl)sulfanyl]-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | J011-0092 |
| Compound Name: | 2-[(4-chlorophenyl)sulfanyl]-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 415.92 |
| Molecular Formula: | C18 H14 Cl N5 O S2 |
| Smiles: | C(c1ccc(cc1)c1nn2cnnc2s1)NC(CSc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2122 |
| logD: | 3.2122 |
| logSw: | -3.7843 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.844 |
| InChI Key: | DMHCNOYOSNAIIC-UHFFFAOYSA-N |