N-(3-bromophenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(3-bromophenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
Compound ID: | F236-0075 |
Compound Name: | N-(3-bromophenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
Molecular Weight: | 420.29 |
Molecular Formula: | C16 H14 Br N5 O2 S |
Smiles: | CCSc1ncc2C(N(CC(Nc3cccc(c3)[Br])=O)C=Nc2n1)=O |
Stereo: | ACHIRAL |
logP: | 2.9737 |
logD: | 2.9736 |
logSw: | -3.2267 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.879 |
InChI Key: | VADXMHSNVYLZGP-UHFFFAOYSA-N |