4-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
4-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}phthalazin-1(2H)-one
4-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0052 |
| Compound Name: | 4-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}phthalazin-1(2H)-one |
| Molecular Weight: | 395.42 |
| Molecular Formula: | C20 H21 N5 O4 |
| Smiles: | C1CN(CCN1CCO)c1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7456 |
| logD: | 1.6272 |
| logSw: | -2.6091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.036 |
| InChI Key: | JVGZJWWLNKHHPR-UHFFFAOYSA-N |