2-methyl-4-[3-nitro-4-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
2-methyl-4-[3-nitro-4-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
2-methyl-4-[3-nitro-4-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5498-2747 |
| Compound Name: | 2-methyl-4-[3-nitro-4-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C20 H20 N4 O3 |
| Smiles: | CN1C(c2ccccc2C(c2ccc(c(c2)[N+]([O-])=O)N2CCCCC2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.385 |
| logD: | 3.385 |
| logSw: | -3.8966 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.378 |
| InChI Key: | YWDOPXPKXVLFPR-UHFFFAOYSA-N |