4-[3-nitro-4-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-nitro-4-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
4-[3-nitro-4-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5498-2633 |
| Compound Name: | 4-[3-nitro-4-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 350.38 |
| Molecular Formula: | C19 H18 N4 O3 |
| Smiles: | C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3858 |
| logD: | 3.3856 |
| logSw: | -3.9342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.59 |
| InChI Key: | ZZVUHPJVOJWXPW-UHFFFAOYSA-N |