ethyl 4-[5-oxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[5-oxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
ethyl 4-[5-oxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Compound characteristics
| Compound ID: | 4696-0827 |
| Compound Name: | ethyl 4-[5-oxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate |
| Molecular Weight: | 532.5 |
| Molecular Formula: | C24 H19 F3 N4 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(=C/c2cccn2c2ccc(cc2)S(N)(=O)=O)\C(C(F)(F)F)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8044 |
| logD: | 3.8036 |
| logSw: | -4.059 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.3 |
| InChI Key: | UWFBBPJDKXCKEQ-UHFFFAOYSA-N |