5-methyl-2-(4-nitrophenyl)-4-[({2-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-(4-nitrophenyl)-4-[({2-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-(4-nitrophenyl)-4-[({2-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-3205 |
| Compound Name: | 5-methyl-2-(4-nitrophenyl)-4-[({2-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 488.55 |
| Molecular Formula: | C26 H28 N6 O4 |
| Smiles: | CC1\C(=C/NCCN2CCN(CC2)C(/C=C/c2ccccc2)=O)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0308 |
| logD: | 1.9889 |
| logSw: | -2.6006 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.853 |
| InChI Key: | IOCBDBQBMZRLSN-UHFFFAOYSA-N |