4-methyl-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-methyl-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
4-methyl-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 2023-0356 |
| Compound Name: | 4-methyl-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 350.38 |
| Molecular Formula: | C19 H18 N4 O3 |
| Smiles: | CC1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCCC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5508 |
| logD: | 3.5507 |
| logSw: | -3.9105 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.819 |
| InChI Key: | ZVTUYYJGQBTYGB-UHFFFAOYSA-N |