dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1696 |
| Compound Name: | dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C16 H21 N3 O4 S |
| Smiles: | CN1CCN(CC1)C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 2.2026 |
| logD: | 1.2705 |
| logSw: | -3.1046 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.263 |
| InChI Key: | MJOUQLXHYGATDU-UHFFFAOYSA-N |