N-(3-chlorophenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(3-chlorophenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0331 |
| Compound Name: | N-(3-chlorophenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 361.81 |
| Molecular Formula: | C15 H12 Cl N5 O2 S |
| Smiles: | CSc1ncc2C(N(CC(Nc3cccc(c3)[Cl])=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5207 |
| logD: | 2.5206 |
| logSw: | -3.5246 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.879 |
| InChI Key: | IIQJVIJMENJEHJ-UHFFFAOYSA-N |