2-(5-chloro-2-nitrophenyl)-4-(2,4-dimethylphenyl)phthalazin-1(2H)-one
Chemical Structure Depiction of
2-(5-chloro-2-nitrophenyl)-4-(2,4-dimethylphenyl)phthalazin-1(2H)-one
2-(5-chloro-2-nitrophenyl)-4-(2,4-dimethylphenyl)phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 2023-0304 |
| Compound Name: | 2-(5-chloro-2-nitrophenyl)-4-(2,4-dimethylphenyl)phthalazin-1(2H)-one |
| Molecular Weight: | 405.84 |
| Molecular Formula: | C22 H16 Cl N3 O3 |
| Smiles: | Cc1ccc(C2c3ccccc3C(N(c3cc(ccc3[N+]([O-])=O)[Cl])N=2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5997 |
| logD: | 5.5996 |
| logSw: | -5.8562 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.556 |
| InChI Key: | KDBBBAZYDLZSBZ-UHFFFAOYSA-N |