4-(diethylsulfamoyl)-N-{[4-(2,5-dimethylphenyl)-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-(diethylsulfamoyl)-N-{[4-(2,5-dimethylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
4-(diethylsulfamoyl)-N-{[4-(2,5-dimethylphenyl)-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: | A0062349 |
| Compound Name: | 4-(diethylsulfamoyl)-N-{[4-(2,5-dimethylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 613.78 |
| Molecular Formula: | C27 H31 N7 O4 S3 |
| Smiles: | CCN(CC)S(c1ccc(cc1)C(NCc1nnc(n1c1cc(C)ccc1C)SCC(Nc1nccs1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.617 |
| logD: | 3.6165 |
| logSw: | -3.9132 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.797 |
| InChI Key: | RXYCDAQFZMYQCR-UHFFFAOYSA-N |