3-methoxy-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-methoxy-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-methoxy-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: | C592-0524 |
| Compound Name: | 3-methoxy-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: | 480.57 |
| Molecular Formula: | C22 H20 N6 O3 S2 |
| Smiles: | COc1cccc(c1)C(NCc1nnc(n1c1ccccc1)SCC(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7003 |
| logD: | 2.6999 |
| logSw: | -3.3106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.545 |
| InChI Key: | FQSUHFDGUSNIKM-UHFFFAOYSA-N |