4-[2-({[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carboxamide
Chemical Structure Depiction of
4-[2-({[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carboxamide
4-[2-({[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y508-2478 |
| Compound Name: | 4-[2-({[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carboxamide |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C24 H27 N7 O4 |
| Smiles: | CC1/C(=C/NCCN2CCN(CC2)C(Nc2ccccc2)=O)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4985 |
| logD: | 0.9252 |
| logSw: | -2.1714 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.201 |
| InChI Key: | KGGQVUWDOWIIQX-UHFFFAOYSA-N |