4-(dimethylsulfamoyl)-N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-(dimethylsulfamoyl)-N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
4-(dimethylsulfamoyl)-N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | A0062099 |
| Compound Name: | 4-(dimethylsulfamoyl)-N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 594.71 |
| Molecular Formula: | C28 H30 N6 O5 S2 |
| Smiles: | Cc1cccc(c1)n1c(CNC(c2ccc(cc2)S(N(C)C)(=O)=O)=O)nnc1SCC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3817 |
| logD: | 3.3816 |
| logSw: | -3.9432 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.73 |
| InChI Key: | IRQWGQORHDSZES-UHFFFAOYSA-N |