dimethyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
dimethyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1652 |
| Compound Name: | dimethyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N1CCN(CC1)C1CCCCC1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0416 |
| logD: | 3.0101 |
| logSw: | -4.1489 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.88 |
| InChI Key: | HUBJDBMGTOPWHY-UHFFFAOYSA-N |