N-ethyl-4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-ethyl-4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
N-ethyl-4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8012-5173 |
| Compound Name: | N-ethyl-4-[2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioamide |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C22 H31 F N6 O S |
| Smiles: | CCCC1\C(=C/NCCN2CCN(CC2)C(NCC)=S)C(N(c2ccc(cc2)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0024 |
| logD: | 1.1669 |
| logSw: | -2.5892 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.199 |
| InChI Key: | HWYSJKWJBBJKSX-UHFFFAOYSA-N |