ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethoxy-2,4-dioxobutyl)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-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0107 |
| Compound Name: | ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 562.66 |
| Molecular Formula: | C26 H30 N2 O8 S2 |
| Smiles: | CCOC(CC(CSC1=Nc2c(C(N1CCc1ccc(c(c1)OC)OC)=O)c(C)c(C(=O)OCC)s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3783 |
| logD: | 3.3782 |
| logSw: | -3.5802 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 94.852 |
| InChI Key: | SACWYBHMIVIOAE-UHFFFAOYSA-N |