ethyl 2-{[(2-chlorophenyl)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-chlorophenyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(2-chlorophenyl)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: | K285-0362 |
| Compound Name: | ethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 559.1 |
| Molecular Formula: | C27 H27 Cl N2 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCc3ccc(c(c3)OC)OC)C(=Nc2s1)SCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8408 |
| logD: | 5.8408 |
| logSw: | -6.1039 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.666 |
| InChI Key: | IZAMZBPCQCMOOI-UHFFFAOYSA-N |