(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidin-5-yl)(4-phenylpiperazin-1-yl)methanone
Chemical Structure Depiction of
(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidin-5-yl)(4-phenylpiperazin-1-yl)methanone
(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidin-5-yl)(4-phenylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | G415-4598 |
| Compound Name: | (2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methylpyrimidin-5-yl)(4-phenylpiperazin-1-yl)methanone |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C24 H25 N5 O3 |
| Smiles: | Cc1c(cnc(NCc2ccc3c(c2)OCO3)n1)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.867 |
| logD: | 2.867 |
| logSw: | -3.2758 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.301 |
| InChI Key: | CQOSHPZYEZUFSI-UHFFFAOYSA-N |