2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(4-methylphenyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(4-methylphenyl)pyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(4-methylphenyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1586 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(4-methylphenyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C23 H24 N4 O3 |
| Smiles: | Cc1ccc(cc1)C1=CC(NC(=N1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.129 |
| logD: | 1.7205 |
| logSw: | -3.1541 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.641 |
| InChI Key: | SMLMAOAGEKEOSL-UHFFFAOYSA-N |