N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0109 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 399.43 |
| Molecular Formula: | C18 H17 N5 O4 S |
| Smiles: | CCSc1ncc2C(N(CC(NCc3ccc4c(c3)OCO4)=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6565 |
| logD: | 1.6565 |
| logSw: | -2.7651 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.317 |
| InChI Key: | VYMVUWZXIJMNPB-UHFFFAOYSA-N |