ethyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0380 |
| Compound Name: | ethyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 577.09 |
| Molecular Formula: | C27 H26 Cl F N2 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCc3ccc(c(c3)OC)OC)C(=Nc2s1)SCc1c(cccc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9311 |
| logD: | 5.9311 |
| logSw: | -6.2289 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.666 |
| InChI Key: | KFVZVPSTDRMSIH-UHFFFAOYSA-N |