4-(dimethylsulfamoyl)-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-(dimethylsulfamoyl)-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
4-(dimethylsulfamoyl)-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | A0070608 |
| Compound Name: | 4-(dimethylsulfamoyl)-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 699.87 |
| Molecular Formula: | C34 H33 N7 O4 S3 |
| Smiles: | Cc1ccc(cc1)C1CC(c2cccs2)=NN1C(CSc1nnc(CNC(c2ccc(cc2)S(N(C)C)(=O)=O)=O)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1291 |
| logD: | 5.1291 |
| logSw: | -5.0055 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.676 |
| InChI Key: | LLEXMWPLUGGVNX-LJAQVGFWSA-N |