4-(dimethylsulfamoyl)-N-{[4-(3-methylphenyl)-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-(3-methylphenyl)-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-(3-methylphenyl)-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: | A0062102 |
| Compound Name: | 4-(dimethylsulfamoyl)-N-{[4-(3-methylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 571.7 |
| Molecular Formula: | C24 H25 N7 O4 S3 |
| Smiles: | Cc1cccc(c1)n1c(CNC(c2ccc(cc2)S(N(C)C)(=O)=O)=O)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5652 |
| logD: | 2.5648 |
| logSw: | -2.8929 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.665 |
| InChI Key: | WYAGMMYWUUHXMD-UHFFFAOYSA-N |