2-(4-methoxyphenyl)-N-{[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}acetamide
Chemical Structure Depiction of
2-(4-methoxyphenyl)-N-{[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}acetamide
2-(4-methoxyphenyl)-N-{[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}acetamide
Compound characteristics
| Compound ID: | C592-0669 |
| Compound Name: | 2-(4-methoxyphenyl)-N-{[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}acetamide |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C23 H22 N6 O3 S2 |
| Smiles: | COc1ccc(CC(NCc2nnc(n2c2ccccc2)SCC(Nc2nccs2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5059 |
| logD: | 2.5055 |
| logSw: | -2.7499 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.332 |
| InChI Key: | WBKRUOIEJBMGGP-UHFFFAOYSA-N |