4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 2799-0020 |
| Compound Name: | 4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 397.39 |
| Molecular Formula: | C20 H19 N3 O6 |
| Smiles: | COc1ccc(cc1)C1CC(c2cccc(c2)[N+]([O-])=O)N(C(CCC(O)=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8369 |
| logD: | -0.1125 |
| logSw: | -3.319 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.168 |
| InChI Key: | BWDNJAUUIINZMS-SFHVURJKSA-N |