N-[(2-ethoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2-ethoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[(2-ethoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0851 |
| Compound Name: | N-[(2-ethoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C27 H30 N2 O3 S |
| Smiles: | CCOc1ccccc1CNC(C1C(c2cccs2)N(CC(C)C)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8557 |
| logD: | 4.8557 |
| logSw: | -4.5049 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.565 |
| InChI Key: | LMSHBISGTIUFDO-UHFFFAOYSA-N |