2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(4-bromophenyl)methyl]-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(4-bromophenyl)methyl]-6-methylpyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(4-bromophenyl)methyl]-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1544 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(4-bromophenyl)methyl]-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 497.39 |
| Molecular Formula: | C24 H25 Br N4 O3 |
| Smiles: | CC1=C(Cc2ccc(cc2)[Br])C(NC(=N1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8256 |
| logD: | 2.4171 |
| logSw: | -3.9603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.993 |
| InChI Key: | JNAORNBGZSWMPA-UHFFFAOYSA-N |