ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)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-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0161 |
| Compound Name: | ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 532.68 |
| Molecular Formula: | C26 H32 N2 O6 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCc3ccc(c(c3)OC)OC)C(=Nc2s1)SCC(C(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7082 |
| logD: | 4.7082 |
| logSw: | -4.5733 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.185 |
| InChI Key: | JLMRMGRNVJQOGK-UHFFFAOYSA-N |