5-(4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
Chemical Structure Depiction of
5-(4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
5-(4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 4169-2512 |
| Compound Name: | 5-(4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid |
| Molecular Weight: | 450.83 |
| Molecular Formula: | C23 H15 Cl N2 O6 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3)C(O)=O)o2)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.808 |
| logD: | 1.0049 |
| logSw: | -4.5922 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.973 |
| InChI Key: | GPVXIJOQCXDNIU-UHFFFAOYSA-N |