2-{5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
2-{5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
2-{5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5875-2448 |
| Compound Name: | 2-{5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C24 H27 N5 O4 |
| Smiles: | CC1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(C(C)(C)C)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5177 |
| logD: | 3.5176 |
| logSw: | -3.8857 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.181 |
| InChI Key: | DXJQAJAAWIBPIR-UHFFFAOYSA-N |