ethyl 4-({4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioyl}amino)benzoate
ethyl 4-({4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 8012-7084 |
| Compound Name: | ethyl 4-({4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioyl}amino)benzoate |
| Molecular Weight: | 566.7 |
| Molecular Formula: | C29 H35 F N6 O3 S |
| Smiles: | CCCC1\C(=C/NCCN2CCN(CC2)C(Nc2ccc(cc2)C(=O)OCC)=S)C(N(c2ccc(cc2)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0636 |
| logD: | 3.543 |
| logSw: | -3.9781 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.733 |
| InChI Key: | JXKMAHPTQHMSAQ-UHFFFAOYSA-N |