2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
Compound ID: | F236-0053 |
Compound Name: | 2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
Molecular Weight: | 409.39 |
Molecular Formula: | C17 H14 F3 N5 O2 S |
Smiles: | CCSc1ncc2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2n1)=O |
Stereo: | ACHIRAL |
logP: | 3.2089 |
logD: | 3.2086 |
logSw: | -3.3525 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.879 |
InChI Key: | IYOOXRORKFYNTL-UHFFFAOYSA-N |