4-acetamido-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N-(oxan-4-yl)benzamide
Chemical Structure Depiction of
4-acetamido-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N-(oxan-4-yl)benzamide
4-acetamido-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N-(oxan-4-yl)benzamide
Compound characteristics
| Compound ID: | SC12-0102 |
| Compound Name: | 4-acetamido-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N-(oxan-4-yl)benzamide |
| Molecular Weight: | 435.57 |
| Molecular Formula: | C26 H33 N3 O3 |
| Smiles: | CC(Nc1ccc(cc1)C(N(CCCN1CCc2ccccc2C1)C1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8722 |
| logD: | 1.9471 |
| logSw: | -3.2448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.216 |
| InChI Key: | IJLAASYHBPLKAF-UHFFFAOYSA-N |