dimethyl 2-[(3-methylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(3-methylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
dimethyl 2-[(3-methylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1706 |
| Compound Name: | dimethyl 2-[(3-methylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate |
| Molecular Weight: | 350.43 |
| Molecular Formula: | C17 H22 N2 O4 S |
| Smiles: | CC1CCCN(C1)C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6234 |
| logD: | 3.6231 |
| logSw: | -3.8718 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.72 |
| InChI Key: | IDSJCUTUFIJKLA-NSHDSACASA-N |