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
N-{[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
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: | C592-3181 |
| Compound Name: | 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: | 450.54 |
| Molecular Formula: | C21 H18 N6 O2 S2 |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1nccs1)=O)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5331 |
| logD: | 2.5327 |
| logSw: | -2.7967 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.001 |
| InChI Key: | NQHLNYRYEAMWRH-UHFFFAOYSA-N |