4-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
4-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
4-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0072 |
| Compound Name: | 4-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H23 N5 O4 |
| Smiles: | CN1C(c2ccccc2C(c2ccc(c(c2)[N+]([O-])=O)N2CCN(CC2)CCO)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7448 |
| logD: | 1.6266 |
| logSw: | -2.4716 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.824 |
| InChI Key: | KBXRGOKFLWJQSP-UHFFFAOYSA-N |