2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1543 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 452.94 |
| Molecular Formula: | C24 H25 Cl N4 O3 |
| Smiles: | CC1=C(Cc2ccc(cc2)[Cl])C(NC(=N1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5864 |
| logD: | 2.1779 |
| logSw: | -3.9311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.993 |
| InChI Key: | XNUMNMVLTYMDTC-UHFFFAOYSA-N |