3-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
3-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
Compound ID: | 3172-0762 |
Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
Molecular Weight: | 350.33 |
Molecular Formula: | C19 H14 N2 O5 |
Smiles: | CC1/C(=C/c2ccc3c(c2)OCO3)C(N(c2cccc(c2)C(O)=O)N=1)=O |
Stereo: | ACHIRAL |
logP: | 3.4262 |
logD: | 0.5403 |
logSw: | -3.484 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.11 |
InChI Key: | SDTALAAOTIVAGO-UHFFFAOYSA-N |