3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]benzoic acid
Chemical Structure Depiction of
3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]benzoic acid
3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | 4482-3764 |
| Compound Name: | 3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]benzoic acid |
| Molecular Weight: | 306.32 |
| Molecular Formula: | C18 H14 N2 O3 |
| Smiles: | CC1/C(=C\c2cccc(c2)C(O)=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3827 |
| logD: | 0.2048 |
| logSw: | -3.6942 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.995 |
| InChI Key: | OURIATDFAPRTKN-UHFFFAOYSA-N |