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 |