ethyl 4-(2-{[5-{[4-(dimethylsulfamoyl)benzamido]methyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-{[4-(dimethylsulfamoyl)benzamido]methyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-{[4-(dimethylsulfamoyl)benzamido]methyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | A0062100 |
| Compound Name: | ethyl 4-(2-{[5-{[4-(dimethylsulfamoyl)benzamido]methyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 636.75 |
| Molecular Formula: | C30 H32 N6 O6 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(CNC(c2ccc(cc2)S(N(C)C)(=O)=O)=O)n1c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0007 |
| logD: | 4.0006 |
| logSw: | -4.0151 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 127.94 |
| InChI Key: | HOGOZITZEVKGCS-UHFFFAOYSA-N |