2-(5-{[1-(3-carboxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-(5-{[1-(3-carboxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
2-(5-{[1-(3-carboxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3172-0949 |
| Compound Name: | 2-(5-{[1-(3-carboxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 416.39 |
| Molecular Formula: | C23 H16 N2 O6 |
| Smiles: | CC1/C(=C/c2ccc(c3ccccc3C(O)=O)o2)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9821 |
| logD: | -0.0708 |
| logSw: | -4.1293 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.973 |
| InChI Key: | PXALIRMCEIDKBV-UHFFFAOYSA-N |