N-[2-(4-chlorophenyl)ethyl]-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-[2-(4-chlorophenyl)ethyl]-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0104 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 403.89 |
| Molecular Formula: | C18 H18 Cl N5 O2 S |
| Smiles: | CCSc1ncc2C(N(CC(NCCc3ccc(cc3)[Cl])=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1129 |
| logD: | 2.1129 |
| logSw: | -3.262 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.043 |
| InChI Key: | INPDEMPYOFXBFV-UHFFFAOYSA-N |