2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-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)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-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: | E544-0349 |
| Compound Name: | 2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C26 H28 N4 O3 S |
| Smiles: | Cc1ccc(cc1)c1nc2c(Cc3c(CO)cnc(C)c3O2)c(n1)SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.614 |
| logD: | 4.611 |
| logSw: | -4.2171 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.037 |
| InChI Key: | KCMUENWLPVEDNS-UHFFFAOYSA-N |