2-{[2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | E544-0261 |
| Compound Name: | 2-{[2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 498.99 |
| Molecular Formula: | C24 H23 Cl N4 O4 S |
| Smiles: | Cc1c2c(Cc3c(nc(c4cccc(c4)[Cl])nc3SCC(N3CCOCC3)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 3.693 |
| logD: | 3.6901 |
| logSw: | -4.1121 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.945 |
| InChI Key: | WXZWEQQWCSAWNR-UHFFFAOYSA-N |