N-(5-chloro-2,4-dimethoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0048 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 435.89 |
| Molecular Formula: | C18 H18 Cl N5 O4 S |
| Smiles: | CCSc1ncc2C(N(CC(Nc3cc(c(cc3OC)OC)[Cl])=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4645 |
| logD: | 2.4589 |
| logSw: | -3.324 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.442 |
| InChI Key: | UNXDCRBABLQDNB-UHFFFAOYSA-N |