N-cyclooctyl-3-methyl-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-cyclooctyl-3-methyl-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-cyclooctyl-3-methyl-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C794-1254 |
| Compound Name: | N-cyclooctyl-3-methyl-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 398.55 |
| Molecular Formula: | C24 H34 N2 O3 |
| Smiles: | CC1(Cc2ccccc2C(N1CC1CCCO1)=O)C(NC1CCCCCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3964 |
| logD: | 4.3964 |
| logSw: | -4.3205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.057 |
| InChI Key: | CPMZQABDDDZKQT-UHFFFAOYSA-N |