2-[(4-chlorophenyl)sulfanyl]-N-{[4-(3-methyl[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-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
2-[(4-chlorophenyl)sulfanyl]-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | J011-0244 |
| Compound Name: | 2-[(4-chlorophenyl)sulfanyl]-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 429.95 |
| Molecular Formula: | C19 H16 Cl N5 O S2 |
| Smiles: | Cc1nnc2n1nc(c1ccc(CNC(CSc3ccc(cc3)[Cl])=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.2666 |
| logD: | 3.2666 |
| logSw: | -3.8108 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.97 |
| InChI Key: | MCOGKULMXCBBTF-UHFFFAOYSA-N |