2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(4-chlorophenyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(4-chlorophenyl)pyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(4-chlorophenyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1587 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(4-chlorophenyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 424.89 |
| Molecular Formula: | C22 H21 Cl N4 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C1NC(C=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3003 |
| logD: | 1.8919 |
| logSw: | -3.7752 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.641 |
| InChI Key: | VBLIFNCRUUALHC-UHFFFAOYSA-N |