N-cyclooctyl-3-methyl-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-cyclooctyl-3-methyl-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-cyclooctyl-3-methyl-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C794-1251 |
| Compound Name: | N-cyclooctyl-3-methyl-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C25 H31 N3 O2 |
| Smiles: | CC1(Cc2ccccc2C(N1Cc1cccnc1)=O)C(NC1CCCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6405 |
| logD: | 4.6404 |
| logSw: | -4.2663 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.921 |
| InChI Key: | OQOTUGBJYMBNOG-VWLOTQADSA-N |