5-bromo-2-chloro-N-{[4-(3-chlorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
5-bromo-2-chloro-N-{[4-(3-chlorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
5-bromo-2-chloro-N-{[4-(3-chlorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K400-03998 |
| Compound Name: | 5-bromo-2-chloro-N-{[4-(3-chlorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 598.33 |
| Molecular Formula: | C21 H15 Br Cl2 N6 O2 S2 |
| Smiles: | C(c1nnc(n1c1cccc(c1)[Cl])SCC(Nc1nccs1)=O)NC(c1cc(ccc1[Cl])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0962 |
| logD: | 5.0953 |
| logSw: | -5.464 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.001 |
| InChI Key: | ZBOHBXCHMLHIEY-UHFFFAOYSA-N |