3-[4-({4-[(furan-2-carbonyl)oxy]-3-methoxyphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
3-[4-({4-[(furan-2-carbonyl)oxy]-3-methoxyphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
3-[4-({4-[(furan-2-carbonyl)oxy]-3-methoxyphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 5752-0058 |
| Compound Name: | 3-[4-({4-[(furan-2-carbonyl)oxy]-3-methoxyphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 446.42 |
| Molecular Formula: | C24 H18 N2 O7 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)OC)OC(c2ccco2)=O)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7133 |
| logD: | 0.8275 |
| logSw: | -4.2344 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.668 |
| InChI Key: | LRORSTFUAHXCFD-UHFFFAOYSA-N |