4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 3053-0975 |
| Compound Name: | 4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C27 H26 N4 O3 |
| Smiles: | Cc1ccc(cc1C)C1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCCCC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0148 |
| logD: | 5.9943 |
| logSw: | -5.371 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.008 |
| InChI Key: | ZGSHMNLPCPPSBH-UHFFFAOYSA-N |