2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C794-1265 |
| Compound Name: | 2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 439.64 |
| Molecular Formula: | C27 H41 N3 O2 |
| Smiles: | CC1(Cc2ccccc2C(N1CCN1CCCCCC1)=O)C(NC1CCCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5262 |
| logD: | 5.0202 |
| logSw: | -5.2736 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.695 |
| InChI Key: | LMWLCJVWDFABDJ-MHZLTWQESA-N |