2-{[2-(4-ethoxyphenyl)-9-methoxy-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[2-(4-ethoxyphenyl)-9-methoxy-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[2-(4-ethoxyphenyl)-9-methoxy-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C683-0414 |
| Compound Name: | 2-{[2-(4-ethoxyphenyl)-9-methoxy-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: | CCOc1ccc(cc1)c1nc2c(Cc3cccc(c3O2)OC)c(n1)SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1269 |
| logD: | 6.1238 |
| logSw: | -5.37 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.961 |
| InChI Key: | RECIYBMIWCGJEI-UHFFFAOYSA-N |