dimethyl 2-{[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1765 |
| Compound Name: | dimethyl 2-{[4-(4-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)c1ccc(cc1)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1704 |
| logD: | 4.1698 |
| logSw: | -4.2072 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.047 |
| InChI Key: | FOMQCSCCKRHSED-UHFFFAOYSA-N |