4-[3-nitro-4-(piperidin-1-yl)phenyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-nitro-4-(piperidin-1-yl)phenyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]phthalazin-1(2H)-one
4-[3-nitro-4-(piperidin-1-yl)phenyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5754-2982 |
| Compound Name: | 4-[3-nitro-4-(piperidin-1-yl)phenyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]phthalazin-1(2H)-one |
| Molecular Weight: | 475.55 |
| Molecular Formula: | C26 H29 N5 O4 |
| Smiles: | C1CCN(CC1)C(CN1C(c2ccccc2C(c2ccc(c(c2)[N+]([O-])=O)N2CCCCC2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4322 |
| logD: | 3.4322 |
| logSw: | -3.9009 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.82 |
| InChI Key: | HHDKLAQSXQMDRK-UHFFFAOYSA-N |