N-(4-chlorophenyl)-2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | E544-0155 |
Compound Name: | N-(4-chlorophenyl)-2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
Molecular Weight: | 535.02 |
Molecular Formula: | C27 H23 Cl N4 O4 S |
Smiles: | Cc1c2c(Cc3c(nc(c4ccc(cc4)OC)nc3SCC(Nc3ccc(cc3)[Cl])=O)O2)c(CO)cn1 |
Stereo: | ACHIRAL |
logP: | 5.5049 |
logD: | 5.502 |
logSw: | -5.9117 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 83.338 |
InChI Key: | UGRJKDCWVWQGPD-UHFFFAOYSA-N |