dimethyl 2-{[4-(pyridin-2-yl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[4-(pyridin-2-yl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[4-(pyridin-2-yl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1711 |
| Compound Name: | dimethyl 2-{[4-(pyridin-2-yl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N1CCN(CC1)c1ccccn1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6874 |
| logD: | 3.6783 |
| logSw: | -3.9578 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.558 |
| InChI Key: | NLVFQPYQEZLWNX-UHFFFAOYSA-N |