4-[3-(3,4-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3-(3,4-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[3-(3,4-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 3933-0014 |
| Compound Name: | 4-[3-(3,4-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C21 H22 N2 O5 |
| Smiles: | COc1ccc(cc1OC)C1CC(c2ccccc2)N(C(CCC(O)=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5834 |
| logD: | -0.366 |
| logSw: | -2.9496 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.503 |
| InChI Key: | XHPHNVAKFRSOOF-KRWDZBQOSA-N |