N-(4-fluorophenyl)-4-[2-({[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-4-[2-({[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
N-(4-fluorophenyl)-4-[2-({[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4779-0093 |
| Compound Name: | N-(4-fluorophenyl)-4-[2-({[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C27 H31 F N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1CC(C(=CNCCN2CCN(CC2)C(Nc2ccc(cc2)F)=S)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5755 |
| logD: | 3.055 |
| logSw: | -3.6629 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.046 |
| InChI Key: | QEDQDFVRCNMASO-UHFFFAOYSA-N |