methyl 2-(4-ethoxybenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-(4-ethoxybenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-(4-ethoxybenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0074 |
| Compound Name: | methyl 2-(4-ethoxybenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C20 H18 N2 O5 |
| Smiles: | CCOc1ccc(cc1)C(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1007 |
| logD: | 2.0894 |
| logSw: | -2.7397 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.359 |
| InChI Key: | TUHBFZHQQRJURT-UHFFFAOYSA-N |