ethyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0346 |
| Compound Name: | ethyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 531.02 |
| Molecular Formula: | C25 H20 Cl F N2 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(cc3)F)C(=Nc2s1)SCC(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7148 |
| logD: | 5.7148 |
| logSw: | -6.1922 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.674 |
| InChI Key: | VYMMEIMLJFMACZ-UHFFFAOYSA-N |