4-(dimethylsulfamoyl)-N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-(dimethylsulfamoyl)-N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
4-(dimethylsulfamoyl)-N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | A0070609 |
| Compound Name: | 4-(dimethylsulfamoyl)-N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 661.8 |
| Molecular Formula: | C32 H35 N7 O5 S2 |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc(cc2)OC)=NN1C(CSc1nnc(CNC(c2ccc(cc2)S(N(C)C)(=O)=O)=O)n1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8235 |
| logD: | 3.8234 |
| logSw: | -3.996 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.54 |
| InChI Key: | TTYHRJIPESAEKE-NDEPHWFRSA-N |