{4-[2,6-dimethyl-5-(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[2,6-dimethyl-5-(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone
{4-[2,6-dimethyl-5-(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V031-3274 |
| Compound Name: | {4-[2,6-dimethyl-5-(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C21 H27 N5 O3 |
| Smiles: | CC(C)c1c(C)nc(C)nc1N1CCN(CC1)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6974 |
| logD: | 3.5872 |
| logSw: | -4.0031 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.922 |
| InChI Key: | SUNZGVGSUOLURZ-UHFFFAOYSA-N |