4-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-2282 |
| Compound Name: | 4-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 462.51 |
| Molecular Formula: | C24 H26 N6 O4 |
| Smiles: | CC1\C(=C/NCCN2CCN(CC2)C(c2ccccc2)=O)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2248 |
| logD: | 1.1804 |
| logSw: | -2.1492 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.381 |
| InChI Key: | CXXFPNWTAIRYNF-UHFFFAOYSA-N |