dimethyl 2-{[4-(ethoxycarbonyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[4-(ethoxycarbonyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[4-(ethoxycarbonyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1758 |
| Compound Name: | dimethyl 2-{[4-(ethoxycarbonyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C18 H23 N3 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9223 |
| logD: | 2.922 |
| logSw: | -3.4353 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.567 |
| InChI Key: | BFNOEXWZSUQMPU-UHFFFAOYSA-N |