4-({[2-(4-acetylpiperazin-1-yl)ethyl]imino}methyl)-2-(4-nitrophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[2-(4-acetylpiperazin-1-yl)ethyl]imino}methyl)-2-(4-nitrophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
4-({[2-(4-acetylpiperazin-1-yl)ethyl]imino}methyl)-2-(4-nitrophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-2674 |
| Compound Name: | 4-({[2-(4-acetylpiperazin-1-yl)ethyl]imino}methyl)-2-(4-nitrophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C21 H28 N6 O4 |
| Smiles: | CCCC1=C(/C=N/CCN2CCN(CC2)C(C)=O)C(N(c2ccc(cc2)[N+]([O-])=O)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7315 |
| logD: | -0.3666 |
| logSw: | -2.3198 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.559 |
| InChI Key: | IXPPUWSRRNABJW-UHFFFAOYSA-N |