2-{[9-ethoxy-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-ethoxy-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[9-ethoxy-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C683-0324 |
| Compound Name: | 2-{[9-ethoxy-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Smiles: | CCOc1cccc2Cc3c(nc(c4ccc(cc4)OC)nc3SCC(N3CCCCC3)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 6.2578 |
| logD: | 6.2547 |
| logSw: | -5.4062 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.961 |
| InChI Key: | DYZODOYYAOQFIO-UHFFFAOYSA-N |