3-(4-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(4-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(4-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3172-0794 |
| Compound Name: | 3-(4-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 451.27 |
| Molecular Formula: | C22 H15 Br N2 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3)[Br])o2)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5525 |
| logD: | 2.6667 |
| logSw: | -5.3699 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.565 |
| InChI Key: | JFPHNRQUQCPKSL-UHFFFAOYSA-N |