2-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Chemical Structure Depiction of
2-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
2-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | P368-0185 |
| Compound Name: | 2-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C20 H20 N2 O4 |
| Smiles: | [H]c1cccc2C(C(NCc3ccc4c(c3)OCO4)=O)N(CCc12)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1454 |
| logD: | 2.1454 |
| logSw: | -2.8087 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.401 |
| InChI Key: | HOLQSVRTPIIWFD-LJQANCHMSA-N |