4-[3-(4-bromophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3-(4-bromophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[3-(4-bromophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 2799-0046 |
| Compound Name: | 4-[3-(4-bromophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 446.26 |
| Molecular Formula: | C19 H16 Br N3 O5 |
| Smiles: | C(CC(N1C(CC(c2ccc(cc2)[Br])=N1)c1cccc(c1)[N+]([O-])=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6884 |
| logD: | 0.739 |
| logSw: | -4.1078 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.624 |
| InChI Key: | AKPGLTWJADVPKE-QGZVFWFLSA-N |