2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-phenyl-5-propylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-phenyl-5-propylpyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-phenyl-5-propylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-2418 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-phenyl-5-propylpyrimidin-4(3H)-one |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H28 N4 O3 |
| Smiles: | CCCC1=C(c2ccccc2)N=C(NC1=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.1711 |
| logD: | 2.7627 |
| logSw: | -4.0268 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.494 |
| InChI Key: | QAPQVSKZDUSCRX-UHFFFAOYSA-N |