N-[(2-chlorophenyl)methyl]-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-[(2-chlorophenyl)methyl]-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0356 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 375.83 |
| Molecular Formula: | C16 H14 Cl N5 O2 S |
| Smiles: | CSc1ncc2C(N(CC(NCc3ccccc3[Cl])=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1269 |
| logD: | 2.1269 |
| logSw: | -3.1789 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.201 |
| InChI Key: | IDMMHWMAGLFKRC-UHFFFAOYSA-N |