4-{[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-{[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
4-{[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 5425-2189 |
| Compound Name: | 4-{[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C22 H17 N3 O5 S2 |
| Smiles: | CC1/C(=C/c2ccc(cc2)OC(c2cccs2)=O)C(N(c2ccc(cc2)S(N)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9991 |
| logD: | 2.998 |
| logSw: | -3.5807 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.586 |
| InChI Key: | BLWVVROYWNYNEG-UHFFFAOYSA-N |