5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-({[2-(piperazin-1-yl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-({[2-(piperazin-1-yl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-({[2-(piperazin-1-yl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-4832 |
| Compound Name: | 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-({[2-(piperazin-1-yl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C23 H26 N6 O4 |
| Smiles: | COc1ccc(cc1)C1=C(/C=N/CCN2CCNCC2)C(N(c2ccc(cc2)[N+]([O-])=O)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.097 |
| logD: | 2.097 |
| logSw: | -2.669 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.491 |
| InChI Key: | PDVWLWQOUCASSS-UHFFFAOYSA-N |