benzyl {[3-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxohexyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[3-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxohexyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
benzyl {[3-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxohexyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K292-1366 |
| Compound Name: | benzyl {[3-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxohexyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 609.76 |
| Molecular Formula: | C31 H35 N3 O6 S2 |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3ccsc3C2=O)SCC(=O)OCc2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0586 |
| logD: | 4.0586 |
| logSw: | -4.1475 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.876 |
| InChI Key: | UXVHPOKFBYOSTQ-UHFFFAOYSA-N |