(2H-1,3-benzodioxol-5-yl){4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | D430-0573 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | Cc1nc(cc(n1)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.4624 |
| logD: | 1.8925 |
| logSw: | -2.7916 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.303 |
| InChI Key: | FXSVCZLICKICAN-UHFFFAOYSA-N |