4-(dimethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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: | A0062118 |
| Compound Name: | 4-(dimethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 587.7 |
| Molecular Formula: | C24 H25 N7 O5 S3 |
| Smiles: | CN(C)S(c1ccc(cc1)C(NCc1nnc(n1c1ccccc1OC)SCC(Nc1nccs1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8743 |
| logD: | 1.8739 |
| logSw: | -2.5511 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.995 |
| InChI Key: | CDCIPARJWSCFQN-UHFFFAOYSA-N |