dimethyl 2-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1768 |
| Compound Name: | dimethyl 2-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 431.48 |
| Molecular Formula: | C21 H22 F N3 O4 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N1CCN(CC1)c1ccccc1F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1983 |
| logD: | 4.198 |
| logSw: | -4.227 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.746 |
| InChI Key: | ZFXPEMKWJXGIRD-UHFFFAOYSA-N |