ethyl 3-[(2-chlorophenyl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(2-chlorophenyl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(2-chlorophenyl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0418 |
| Compound Name: | ethyl 3-[(2-chlorophenyl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 547.48 |
| Molecular Formula: | C25 H20 Cl2 N2 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccccc3[Cl])C(=Nc2s1)SCC(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1696 |
| logD: | 6.1696 |
| logSw: | -6.1438 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.674 |
| InChI Key: | PYXTUSDUJCXVKJ-UHFFFAOYSA-N |