4-(3-nitrophenyl)-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(3-nitrophenyl)-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phthalazin-1(2H)-one
4-(3-nitrophenyl)-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6434-3821 |
| Compound Name: | 4-(3-nitrophenyl)-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phthalazin-1(2H)-one |
| Molecular Weight: | 378.39 |
| Molecular Formula: | C20 H18 N4 O4 |
| Smiles: | C1CCN(C1)C(CN1C(c2ccccc2C(c2cccc(c2)[N+]([O-])=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3777 |
| logD: | 2.3777 |
| logSw: | -2.9943 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.335 |
| InChI Key: | QSSDRHLLSIWOGK-UHFFFAOYSA-N |