N-(3,4-dimethoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(3,4-dimethoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
Compound ID: | F236-0014 |
Compound Name: | N-(3,4-dimethoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
Molecular Weight: | 401.44 |
Molecular Formula: | C18 H19 N5 O4 S |
Smiles: | CCSc1ncc2C(N(CC(Nc3ccc(c(c3)OC)OC)=O)C=Nc2n1)=O |
Stereo: | ACHIRAL |
logP: | 1.7006 |
logD: | 1.7006 |
logSw: | -2.6469 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.14 |
InChI Key: | INHGBSXMECBRRU-UHFFFAOYSA-N |