4-(dimethylsulfamoyl)-N-{[4-(4-ethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-(dimethylsulfamoyl)-N-{[4-(4-ethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
4-(dimethylsulfamoyl)-N-{[4-(4-ethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | A0062230 |
| Compound Name: | 4-(dimethylsulfamoyl)-N-{[4-(4-ethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 616.74 |
| Molecular Formula: | C25 H28 N8 O5 S3 |
| Smiles: | CCOc1ccc(cc1)n1c(CNC(c2ccc(cc2)S(N(C)C)(=O)=O)=O)nnc1SCC(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1277 |
| logD: | 2.087 |
| logSw: | -2.8059 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 137.662 |
| InChI Key: | XGDWGSCABQYNQI-UHFFFAOYSA-N |