4-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 3740-0341 |
| Compound Name: | 4-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 461.31 |
| Molecular Formula: | C21 H21 Br N2 O5 |
| Smiles: | COc1cccc(C2CC(c3ccc(cc3)[Br])=NN2C(CCC(O)=O)=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6983 |
| logD: | 0.7489 |
| logSw: | -4.0592 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.59 |
| InChI Key: | NSLVKEWFRQMKIN-QGZVFWFLSA-N |