ethyl 4-methyl-2-(2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 4-methyl-2-(2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate
ethyl 4-methyl-2-(2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | D419-0197 |
| Compound Name: | ethyl 4-methyl-2-(2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C24 H23 N5 O3 S2 |
| Smiles: | CCOC(c1c(C)nc(NC(CSc2nnc(c3ccc(C)cc3)n2c2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2089 |
| logD: | 5.1743 |
| logSw: | -5.0686 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.239 |
| InChI Key: | WJAAPSAIXSOSDM-UHFFFAOYSA-N |