dimethyl 2-{[benzyl(2-hydroxyethyl)carbamothioyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[benzyl(2-hydroxyethyl)carbamothioyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[benzyl(2-hydroxyethyl)carbamothioyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1771 |
| Compound Name: | dimethyl 2-{[benzyl(2-hydroxyethyl)carbamothioyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N(CCO)Cc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3455 |
| logD: | 3.3454 |
| logSw: | -3.5832 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.983 |
| InChI Key: | VQEFJMJRRJRBRQ-UHFFFAOYSA-N |