dimethyl 2-({4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl}amino)benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-({4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl}amino)benzene-1,4-dicarboxylate
dimethyl 2-({4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl}amino)benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1718 |
| Compound Name: | dimethyl 2-({4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl}amino)benzene-1,4-dicarboxylate |
| Molecular Weight: | 481.49 |
| Molecular Formula: | C22 H22 F3 N3 O4 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8205 |
| logD: | 4.8199 |
| logSw: | -4.5993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.047 |
| InChI Key: | NXUNCCPABRBSEQ-UHFFFAOYSA-N |