5-methyl-4-[({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)methylidene]-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-[({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)methylidene]-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-[({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)methylidene]-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3966-4624 |
| Compound Name: | 5-methyl-4-[({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)methylidene]-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C21 H28 N6 O4 |
| Smiles: | CC(C)C(N1CCN(CCN/C=C2\C(C)=NN(C2=O)c2ccc(cc2)[N+]([O-])=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9811 |
| logD: | 0.8423 |
| logSw: | -2.1915 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.652 |
| InChI Key: | ZZOXWVDGPPNSFZ-UHFFFAOYSA-N |