4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one
4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0070 |
| Compound Name: | 4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one |
| Molecular Weight: | 455.52 |
| Molecular Formula: | C26 H25 N5 O3 |
| Smiles: | CN1C(c2ccccc2C(c2ccc(c(c2)[N+]([O-])=O)N2CCN(CC2)Cc2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7014 |
| logD: | 3.6244 |
| logSw: | -4.0465 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.919 |
| InChI Key: | SYNCGAAKCDNQJJ-UHFFFAOYSA-N |