2-[(4-chlorophenyl)sulfanyl]-N-{[4-(3-ethyl[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-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
2-[(4-chlorophenyl)sulfanyl]-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | J011-0396 |
| Compound Name: | 2-[(4-chlorophenyl)sulfanyl]-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 443.98 |
| Molecular Formula: | C20 H18 Cl N5 O S2 |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(CSc3ccc(cc3)[Cl])=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.8968 |
| logD: | 3.8968 |
| logSw: | -4.3741 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.169 |
| InChI Key: | DGGVOMJYTYEFOS-UHFFFAOYSA-N |