2-{[2-(4-methoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[2-(4-methoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[2-(4-methoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C683-0301 |
| Compound Name: | 2-{[2-(4-methoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | Cc1ccc2c(Cc3c(nc(c4ccc(cc4)OC)nc3SCC(N3CCCCC3)=O)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2013 |
| logD: | 6.1982 |
| logSw: | -5.3634 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.067 |
| InChI Key: | JKGOWNVXVLTHFX-UHFFFAOYSA-N |