dimethyl 5-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | E456-0896 |
| Compound Name: | dimethyl 5-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 520.6 |
| Molecular Formula: | C28 H28 N2 O6 S |
| Smiles: | CC(C)CN1C(C(C(Nc2cc(cc(c2)C(=O)OC)C(=O)OC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3076 |
| logD: | 5.3066 |
| logSw: | -5.3467 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.38 |
| InChI Key: | MOQYEBRDVCJKPS-UHFFFAOYSA-N |