N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-6-yl)-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-6-yl)-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C138-0452 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C25 H24 N2 O6 S |
| Smiles: | CN1C(C(C(Nc2ccc3c(c2)OCCO3)=O)c2cc(c(cc2C1=O)OC)OC)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9721 |
| logD: | 1.9707 |
| logSw: | -2.9661 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.882 |
| InChI Key: | XHUGGFZSAAKPBA-UHFFFAOYSA-N |