2-{[9-methoxy-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[9-methoxy-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[9-methoxy-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C683-0315 |
| Compound Name: | 2-{[9-methoxy-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | COc1ccc(cc1)c1nc2c(Cc3cccc(c3O2)OC)c(n1)SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7403 |
| logD: | 5.7372 |
| logSw: | -5.3044 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.382 |
| InChI Key: | HWUXRVMHWSBWOS-UHFFFAOYSA-N |