dimethyl 2-{[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
Compound ID: | C200-1648 |
Compound Name: | dimethyl 2-{[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate |
Molecular Weight: | 458.49 |
Molecular Formula: | C21 H22 N4 O6 S |
Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=S)=O |
Stereo: | ACHIRAL |
logP: | 4.067 |
logD: | 4.0668 |
logSw: | -4.2132 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 89.428 |
InChI Key: | AASYVDHVKBEVNZ-UHFFFAOYSA-N |