(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidin-5-yl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidin-5-yl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidin-5-yl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | G415-4654 |
| Compound Name: | (2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidin-5-yl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Smiles: | Cc1c(cnc(NCc2ccc3c(c2)OCO3)n1)C(N1CCN(CC1)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.971 |
| logD: | 2.971 |
| logSw: | -3.2818 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.845 |
| InChI Key: | HPIHOXOBNQAVKU-UHFFFAOYSA-N |