dimethyl 2-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]benzene-1,4-dicarboxylate
dimethyl 2-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1715 |
| Compound Name: | dimethyl 2-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]benzene-1,4-dicarboxylate |
| Molecular Weight: | 384.45 |
| Molecular Formula: | C20 H20 N2 O4 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N1CCc2ccccc2C1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1889 |
| logD: | 4.1884 |
| logSw: | -4.2003 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.449 |
| InChI Key: | UBGLDMPBZOKFAJ-UHFFFAOYSA-N |