3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile
Chemical Structure Depiction of
3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile
3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile
Compound characteristics
| Compound ID: | 8010-9439 |
| Compound Name: | 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile |
| Molecular Weight: | 368.35 |
| Molecular Formula: | C21 H12 N4 O3 |
| Smiles: | C(c1ccc(c(c1)[N+]([O-])=O)N1C(c2ccccc2C(c2ccccc2)=N1)=O)#N |
| Stereo: | ACHIRAL |
| logP: | 3.4293 |
| logD: | 3.4292 |
| logSw: | -4.0505 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.612 |
| InChI Key: | HUGGYSDDNQPSTQ-UHFFFAOYSA-N |