2-{[6-(hydroxymethyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[6-(hydroxymethyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
2-{[6-(hydroxymethyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | E544-0061 |
Compound Name: | 2-{[6-(hydroxymethyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide |
Molecular Weight: | 530.6 |
Molecular Formula: | C28 H26 N4 O5 S |
Smiles: | Cc1c2c(Cc3c(nc(c4ccccc4OC)nc3SCC(Nc3cccc(c3)OC)=O)O2)c(CO)cn1 |
Stereo: | ACHIRAL |
logP: | 3.9528 |
logD: | 3.95 |
logSw: | -4.1667 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 90.968 |
InChI Key: | BEZLNAIUKSERNW-UHFFFAOYSA-N |