3-methyl-N-{[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3-methyl-N-{[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
3-methyl-N-{[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C592-0495 |
| Compound Name: | 3-methyl-N-{[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 464.57 |
| Molecular Formula: | C22 H20 N6 O2 S2 |
| Smiles: | Cc1cccc(c1)C(NCc1nnc(n1c1ccccc1)SCC(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0092 |
| logD: | 3.0088 |
| logSw: | -3.411 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.001 |
| InChI Key: | RSQGIUCCUFEWLE-UHFFFAOYSA-N |