4-(4-methylphenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(4-methylphenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
4-(4-methylphenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5875-0070 |
| Compound Name: | 4-(4-methylphenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C25 H22 N4 O3 |
| Smiles: | Cc1ccc(cc1)C1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCCC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1848 |
| logD: | 5.1675 |
| logSw: | -5.0277 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.374 |
| InChI Key: | UIEWXQNCAGSOEF-UHFFFAOYSA-N |