ethyl 2-{[2-(cyclohexylamino)-2-oxoethyl]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-(cyclohexylamino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0183 |
| Compound Name: | ethyl 2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 573.73 |
| Molecular Formula: | C28 H35 N3 O6 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCc3ccc(c(c3)OC)OC)C(=Nc2s1)SCC(NC1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4759 |
| logD: | 4.4759 |
| logSw: | -4.3546 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.863 |
| InChI Key: | DAZAFAMERIXHAS-UHFFFAOYSA-N |