2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | E544-0169 |
| Compound Name: | 2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | Cc1c2c(Cc3c(nc(c4ccc(cc4)OC)nc3SCC(N3CCCCC3)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.173 |
| logD: | 4.1701 |
| logSw: | -4.0915 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.581 |
| InChI Key: | MXGBXUOMAANQEX-UHFFFAOYSA-N |