ethyl 4-(4-chlorophenyl)-2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chlorophenyl)-2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-3-carboxylate
ethyl 4-(4-chlorophenyl)-2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D306-0532 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-3-carboxylate |
| Molecular Weight: | 447.96 |
| Molecular Formula: | C20 H18 Cl N3 O3 S2 |
| Smiles: | CCOC(c1c(csc1NC(CSc1cc(C)ncn1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5277 |
| logD: | 4.5146 |
| logSw: | -4.8862 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.37 |
| InChI Key: | BJIHWMYZKVBLFD-UHFFFAOYSA-N |