4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8012-6916 |
| Compound Name: | 4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide |
| Molecular Weight: | 573.71 |
| Molecular Formula: | C26 H32 F N7 O3 S2 |
| Smiles: | CCCC1/C(=C/NCCN2CCN(CC2)C(Nc2ccc(cc2)S(N)(=O)=O)=S)C(N(c2ccc(cc2)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8228 |
| logD: | 1.3022 |
| logSw: | -2.4029 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 104.583 |
| InChI Key: | ADSVAPJSHCYCTI-UHFFFAOYSA-N |