2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-2416 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-4(3H)-one |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C20 H26 N4 O3 |
| Smiles: | CC(C)(C)C1=CC(NC(=N1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5059 |
| logD: | 1.0974 |
| logSw: | -3.0038 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.913 |
| InChI Key: | XTGLAQYHMSHHIW-UHFFFAOYSA-N |