4-(diethylsulfamoyl)-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-(diethylsulfamoyl)-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-(diethylsulfamoyl)-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: | A0062355 |
| Compound Name: | 4-(diethylsulfamoyl)-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: | 629.78 |
| Molecular Formula: | C27 H31 N7 O5 S3 |
| Smiles: | CCN(CC)S(c1ccc(cc1)C(NCc1nnc(n1c1ccc(cc1)OCC)SCC(Nc1nccs1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.053 |
| logD: | 3.0525 |
| logSw: | -3.5417 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.221 |
| InChI Key: | ODCABSGQTPMKNA-UHFFFAOYSA-N |