2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5510-1151 |
| Compound Name: | 2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H23 N5 O4 |
| Smiles: | CC1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)CCO)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0311 |
| logD: | 1.8702 |
| logSw: | -2.7959 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.899 |
| InChI Key: | HTPLFYDCUHOOBC-UHFFFAOYSA-N |