4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one
4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0056 |
| Compound Name: | 4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C20 H20 N4 O3 |
| Smiles: | CC1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7162 |
| logD: | 3.716 |
| logSw: | -4.0106 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.59 |
| InChI Key: | PNEGUXGVJRQSJO-UHFFFAOYSA-N |