ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0299 |
| Compound Name: | ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 542.65 |
| Molecular Formula: | C27 H27 F N2 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCc3ccc(c(c3)OC)OC)C(=Nc2s1)SCc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3042 |
| logD: | 5.3042 |
| logSw: | -5.3959 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.666 |
| InChI Key: | VPSDIUBHPGTISW-UHFFFAOYSA-N |