N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C138-0525 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C26 H26 N2 O6 S |
| Smiles: | CN1C(C(C(NCC2COc3ccccc3O2)=O)c2cc(c(cc2C1=O)OC)OC)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6157 |
| logD: | 2.6157 |
| logSw: | -3.2384 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.06 |
| InChI Key: | BFNALXKQWPYKTO-UHFFFAOYSA-N |