2-(4-nitrophenyl)-5-phenyl-4-({[2-(piperazin-1-yl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-nitrophenyl)-5-phenyl-4-({[2-(piperazin-1-yl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
2-(4-nitrophenyl)-5-phenyl-4-({[2-(piperazin-1-yl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-2702 |
| Compound Name: | 2-(4-nitrophenyl)-5-phenyl-4-({[2-(piperazin-1-yl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C22 H24 N6 O3 |
| Smiles: | C1CN(CCN1)CC/N=C/C1=C(c2ccccc2)NN(C1=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0096 |
| logD: | 2.0096 |
| logSw: | -2.4575 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.947 |
| InChI Key: | KVCXMMBHQLNZRQ-UHFFFAOYSA-N |