4-(3-methyl-5-oxo-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(3-methyl-5-oxo-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(3-methyl-5-oxo-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3174-1505 |
| Compound Name: | 4-(3-methyl-5-oxo-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 428.4 |
| Molecular Formula: | C24 H16 N2 O6 |
| Smiles: | CC1/C(=C\c2ccc(c3ccc4C(=O)OCc4c3)o2)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8769 |
| logD: | 1.4816 |
| logSw: | -3.944 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.137 |
| InChI Key: | ZDHXDELNGINRKE-RGVLZGJSSA-N |