ethyl 4-{[3-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxohexyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[3-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxohexyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[3-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxohexyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | K292-1389 |
| Compound Name: | ethyl 4-{[3-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxohexyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 589.73 |
| Molecular Formula: | C28 H35 N3 O7 S2 |
| Smiles: | CCOC(CC(CSC1=Nc2ccsc2C(N1CCCCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3763 |
| logD: | 2.3763 |
| logSw: | -2.7629 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.527 |
| InChI Key: | LTPOEDSAKIEAEO-UHFFFAOYSA-N |