2-{5-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
2-{5-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid
2-{5-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 3172-0947 |
| Compound Name: | 2-{5-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 372.38 |
| Molecular Formula: | C22 H16 N2 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3ccccc3C(O)=O)o2)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9184 |
| logD: | -0.1344 |
| logSw: | -3.9335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.565 |
| InChI Key: | HFIHPFZWNMGNKR-UHFFFAOYSA-N |