benzyl ({3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
benzyl ({3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
benzyl ({3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K292-1234 |
| Compound Name: | benzyl ({3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 551.68 |
| Molecular Formula: | C28 H29 N3 O5 S2 |
| Smiles: | COc1ccc(cc1)NC(CCCCCN1C(=Nc2ccsc2C1=O)SCC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0489 |
| logD: | 5.0489 |
| logSw: | -4.6339 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.995 |
| InChI Key: | MLJUDVOILYAJFN-UHFFFAOYSA-N |