3-(4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3172-0814 |
| Compound Name: | 3-(4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 447.4 |
| Molecular Formula: | C23 H17 N3 O7 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3OC)[N+]([O-])=O)o2)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6802 |
| logD: | 1.7944 |
| logSw: | -4.5883 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.577 |
| InChI Key: | BFKAQVYUXBBGHJ-UHFFFAOYSA-N |