2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}-4-phenylphthalazin-1(2H)-one
Chemical Structure Depiction of
2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}-4-phenylphthalazin-1(2H)-one
2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}-4-phenylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5646-3173 |
| Compound Name: | 2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}-4-phenylphthalazin-1(2H)-one |
| Molecular Weight: | 471.52 |
| Molecular Formula: | C26 H25 N5 O4 |
| Smiles: | C1CN(CCN1CCO)c1ccc(c(c1)N1C(c2ccccc2C(c2ccccc2)=N1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1367 |
| logD: | 2.9757 |
| logSw: | -3.6651 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.454 |
| InChI Key: | BKLSGEILQFCTBA-UHFFFAOYSA-N |