N-(2,5-dimethoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(2,5-dimethoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0067 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C18 H19 N5 O4 S |
| Smiles: | CCSc1ncc2C(N(CC(Nc3cc(ccc3OC)OC)=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8491 |
| logD: | 1.8488 |
| logSw: | -2.7524 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.355 |
| InChI Key: | MXQHYOBDDBBQOT-UHFFFAOYSA-N |