2-{[7-chloro-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-{[7-chloro-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[7-chloro-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C683-0334 |
| Compound Name: | 2-{[7-chloro-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 482 |
| Molecular Formula: | C25 H24 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1)c1nc2c(Cc3cc(ccc3O2)[Cl])c(n1)SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.455 |
| logD: | 6.4475 |
| logSw: | -6.319 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.067 |
| InChI Key: | QCWHFMUABHHGCV-UHFFFAOYSA-N |