dimethyl 5-({[4-(ethoxycarbonyl)phenyl]carbamothioyl}amino)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-({[4-(ethoxycarbonyl)phenyl]carbamothioyl}amino)benzene-1,3-dicarboxylate
dimethyl 5-({[4-(ethoxycarbonyl)phenyl]carbamothioyl}amino)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | Y600-0739 |
| Compound Name: | dimethyl 5-({[4-(ethoxycarbonyl)phenyl]carbamothioyl}amino)benzene-1,3-dicarboxylate |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C20 H20 N2 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8902 |
| logD: | 4.8902 |
| logSw: | -4.6707 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.162 |
| InChI Key: | PLGQSPIQMQIDQH-UHFFFAOYSA-N |