4-(2,4-dimethylphenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(2,4-dimethylphenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
4-(2,4-dimethylphenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 4265-2404 |
| Compound Name: | 4-(2,4-dimethylphenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C26 H24 N4 O3 |
| Smiles: | Cc1ccc(C2c3ccccc3C(N(c3cc(ccc3[N+]([O-])=O)N3CCCC3)N=2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7591 |
| logD: | 5.7495 |
| logSw: | -5.4775 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.374 |
| InChI Key: | GWTNZXVWWUOLQN-UHFFFAOYSA-N |