N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | C593-1258 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C24 H22 N2 O3 S |
| Smiles: | Cc1ccc2c(c1)c1c(cc(C(NCCN3CCc4ccccc4C3)=O)s1)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.4583 |
| logD: | 4.2497 |
| logSw: | -4.1642 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.806 |
| InChI Key: | PWEOZCBEVAXSOH-UHFFFAOYSA-N |