4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-(2-phenylethyl)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-(2-phenylethyl)piperazine-1-carbothioamide
4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-(2-phenylethyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8012-5174 |
| Compound Name: | 4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-(2-phenylethyl)piperazine-1-carbothioamide |
| Molecular Weight: | 522.69 |
| Molecular Formula: | C28 H35 F N6 O S |
| Smiles: | CCCC1\C(=C/NCCN2CCN(CC2)C(NCCc2ccccc2)=S)C(N(c2ccc(cc2)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2108 |
| logD: | 2.3754 |
| logSw: | -3.3629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.143 |
| InChI Key: | NTRQYFJNBKDTPV-UHFFFAOYSA-N |