{4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
{4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
Compound characteristics
Compound ID: | D430-0561 |
Compound Name: | {4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone |
Molecular Weight: | 425.49 |
Molecular Formula: | C21 H27 N7 O3 |
Smiles: | Cc1nc(cc(n1)N1CCN(CC1)C(c1ccc(cc1)[N+]([O-])=O)=O)N1CCN(C)CC1 |
Stereo: | ACHIRAL |
logP: | 2.5498 |
logD: | 1.9798 |
logSw: | -2.782 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 77.569 |
InChI Key: | DUHIYOFKAFXLAZ-UHFFFAOYSA-N |