N-{[4-(2,5-dimethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
Chemical Structure Depiction of
N-{[4-(2,5-dimethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
N-{[4-(2,5-dimethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
Compound characteristics
| Compound ID: | A0062220 |
| Compound Name: | N-{[4-(2,5-dimethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide |
| Molecular Weight: | 617.72 |
| Molecular Formula: | C25 H27 N7 O6 S3 |
| Smiles: | CN(C)S(c1ccc(cc1)C(NCc1nnc(n1c1cc(ccc1OC)OC)SCC(Nc1nccs1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1877 |
| logD: | 2.1873 |
| logSw: | -2.9556 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 132.538 |
| InChI Key: | UAJCGGWXZFZKSQ-UHFFFAOYSA-N |