dimethyl 2-{[benzyl(ethyl)carbamothioyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[benzyl(ethyl)carbamothioyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[benzyl(ethyl)carbamothioyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1713 |
| Compound Name: | dimethyl 2-{[benzyl(ethyl)carbamothioyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C20 H22 N2 O4 S |
| Smiles: | CCN(Cc1ccccc1)C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 4.2275 |
| logD: | 4.2274 |
| logSw: | -4.2792 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.074 |
| InChI Key: | CYTGEANCIIAFAK-UHFFFAOYSA-N |