3-(3-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(3-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(3-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3172-0302 |
| Compound Name: | 3-(3-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 431.4 |
| Molecular Formula: | C23 H17 N3 O6 |
| Smiles: | CC1/C(=C/c2ccc(c3cc(ccc3C)[N+]([O-])=O)o2)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9547 |
| logD: | 2.0689 |
| logSw: | -4.5379 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.946 |
| InChI Key: | KAISSFWKQPAQLD-UHFFFAOYSA-N |