4-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 2799-0021 |
| Compound Name: | 4-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 431.28 |
| Molecular Formula: | C20 H19 Br N2 O4 |
| Smiles: | COc1ccc(cc1)C1CC(c2ccc(cc2)[Br])N(C(CCC(O)=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.797 |
| logD: | 0.8476 |
| logSw: | -4.0516 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.786 |
| InChI Key: | HEXHRPQEZCKXMF-SFHVURJKSA-N |