methyl 2-chloro-5-(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 2-chloro-5-(5-{[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
methyl 2-chloro-5-(5-{[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 4545-1533 |
| Compound Name: | methyl 2-chloro-5-(5-{[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 553.9 |
| Molecular Formula: | C23 H15 Cl F3 N3 O6 S |
| Smiles: | COC(c1cc(ccc1[Cl])c1ccc(/C=C2/C(C(F)(F)F)=NN(C2=O)c2ccc(cc2)S(N)(=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1413 |
| logD: | 4.1402 |
| logSw: | -4.6225 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.76 |
| InChI Key: | DZVHSKPKCCQXPP-UHFFFAOYSA-N |