N-(3-chlorophenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | E544-0019 |
Compound Name: | N-(3-chlorophenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
Molecular Weight: | 504.99 |
Molecular Formula: | C26 H21 Cl N4 O3 S |
Smiles: | Cc1c2c(Cc3c(nc(c4ccccc4)nc3SCC(Nc3cccc(c3)[Cl])=O)O2)c(CO)cn1 |
Stereo: | ACHIRAL |
logP: | 5.5763 |
logD: | 5.5734 |
logSw: | -5.7164 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.794 |
InChI Key: | KZJGXAQIFAQIIH-UHFFFAOYSA-N |