methyl 1-oxo-2-(3,4,5-triethoxybenzamido)-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-oxo-2-(3,4,5-triethoxybenzamido)-1,2-dihydroisoquinoline-4-carboxylate
methyl 1-oxo-2-(3,4,5-triethoxybenzamido)-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0084 |
| Compound Name: | methyl 1-oxo-2-(3,4,5-triethoxybenzamido)-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C24 H26 N2 O7 |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4713 |
| logD: | 2.4706 |
| logSw: | -3.0207 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.952 |
| InChI Key: | QNVHALYZUMPGAC-UHFFFAOYSA-N |