N-(2H-1,3-benzodioxol-5-yl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0076 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 385.4 |
| Molecular Formula: | C17 H15 N5 O4 S |
| Smiles: | CCSc1ncc2C(N(CC(Nc3ccc4c(c3)OCO4)=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9988 |
| logD: | 1.9987 |
| logSw: | -2.9594 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.994 |
| InChI Key: | MEIYZZWWLJERSQ-UHFFFAOYSA-N |