N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1(6H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1(6H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1(6H)-yl]acetamide
Compound characteristics
| Compound ID: | P574-6136 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1(6H)-yl]acetamide |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C22 H22 N4 O4 |
| Smiles: | CC1=CC(N(CC(NCc2ccc3c(c2)OCO3)=O)C(Nc2cccc(C)c2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7557 |
| logD: | 2.7556 |
| logSw: | -3.0015 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.992 |
| InChI Key: | YLAHAISWAPZLGZ-UHFFFAOYSA-N |