dimethyl 2-{[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1716 |
| Compound Name: | dimethyl 2-{[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 461.97 |
| Molecular Formula: | C22 H24 Cl N3 O4 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3024 |
| logD: | 5.302 |
| logSw: | -5.8254 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.746 |
| InChI Key: | IDTXCLDTHYIUOV-UHFFFAOYSA-N |