4-[3,5-bis(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3,5-bis(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[3,5-bis(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4052-4410 |
| Compound Name: | 4-[3,5-bis(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C23 H26 N2 O7 |
| Smiles: | COc1ccc(cc1OC)C1CC(c2ccc(c(c2)OC)OC)=NN1C(CCC(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2432 |
| logD: | -0.7062 |
| logSw: | -2.7042 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.764 |
| InChI Key: | NVLOHLZMMQHMRI-KRWDZBQOSA-N |