4-(dimethylsulfamoyl)-N-{[4-(4-ethoxyphenyl)-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
4-(dimethylsulfamoyl)-N-{[4-(4-ethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
4-(dimethylsulfamoyl)-N-{[4-(4-ethoxyphenyl)-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: | A0062229 |
| Compound Name: | 4-(dimethylsulfamoyl)-N-{[4-(4-ethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 601.72 |
| Molecular Formula: | C25 H27 N7 O5 S3 |
| Smiles: | CCOc1ccc(cc1)n1c(CNC(c2ccc(cc2)S(N(C)C)(=O)=O)=O)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4664 |
| logD: | 2.466 |
| logSw: | -2.8364 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.789 |
| InChI Key: | WBZOGUJBBHAZKA-UHFFFAOYSA-N |