4-(4-chlorophenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
4-(4-chlorophenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5791-4419 |
| Compound Name: | 4-(4-chlorophenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 446.89 |
| Molecular Formula: | C24 H19 Cl N4 O3 |
| Smiles: | C1CCN(C1)c1ccc(c(c1)N1C(c2ccccc2C(c2ccc(cc2)[Cl])=N1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3561 |
| logD: | 5.354 |
| logSw: | -5.942 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.374 |
| InChI Key: | LGPWOJDIPQIGFR-UHFFFAOYSA-N |