N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1216 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C27 H30 N2 O4 S |
| Smiles: | CCOc1ccc(CCNC(C2C(c3cccs3)N(C)C(c3ccccc23)=O)=O)cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8688 |
| logD: | 2.8688 |
| logSw: | -3.5137 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.382 |
| InChI Key: | AAHYMIYMFRUQHH-UHFFFAOYSA-N |