1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methylpyrimidin-5-yl)ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methylpyrimidin-5-yl)ethan-1-one--hydrogen chloride (1/1)
1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methylpyrimidin-5-yl)ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-3332 |
| Compound Name: | 1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methylpyrimidin-5-yl)ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 390.87 |
| Molecular Formula: | C19 H22 N4 O3 |
| Salt: | HCl |
| Smiles: | CC(c1cnc(nc1C)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8884 |
| logD: | 1.163 |
| logSw: | -2.6359 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.77 |
| InChI Key: | OVAFODBNZFDCRP-UHFFFAOYSA-N |