2-{[2-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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: | E544-0396 |
Compound Name: | 2-{[2-(4-fluorophenyl)-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: | 482.53 |
Molecular Formula: | C24 H23 F N4 O4 S |
Smiles: | Cc1c2c(Cc3c(nc(c4ccc(cc4)F)nc3SCC(N3CCOCC3)=O)O2)c(CO)cn1 |
Stereo: | ACHIRAL |
logP: | 3.061 |
logD: | 3.0582 |
logSw: | -2.971 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.945 |
InChI Key: | WAXBAEULHONQLU-UHFFFAOYSA-N |