4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one
4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0050 |
| Compound Name: | 4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C25 H23 N5 O3 |
| Smiles: | C1CN(CCN1Cc1ccccc1)c1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7022 |
| logD: | 3.625 |
| logSw: | -4.1615 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.131 |
| InChI Key: | CLQXQJIEXFBTMW-UHFFFAOYSA-N |