(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidin-5-yl)[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidin-5-yl)[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidin-5-yl)[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | G415-4604 |
| Compound Name: | (2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidin-5-yl)[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C26 H29 N5 O3 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1cnc(NCc2ccc3c(c2)OCO3)nc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9906 |
| logD: | 3.9906 |
| logSw: | -4.0695 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68 |
| InChI Key: | KPMAXUXKVQBIAF-UHFFFAOYSA-N |