methyl 3-(5-{[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
methyl 3-(5-{[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
methyl 3-(5-{[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 4545-1521 |
| Compound Name: | methyl 3-(5-{[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 519.45 |
| Molecular Formula: | C23 H16 F3 N3 O6 S |
| Smiles: | COC(c1cccc(c1)c1ccc(/C=C2/C(C(F)(F)F)=NN(C2=O)c2ccc(cc2)S(N)(=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5196 |
| logD: | 3.5185 |
| logSw: | -4.0064 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.76 |
| InChI Key: | WPZWOTQKHNWHIM-UHFFFAOYSA-N |