3-{[(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino}-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-{[(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino}-5,5-dimethylcyclohex-2-en-1-one
3-{[(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino}-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8014-1227 |
| Compound Name: | 3-{[(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino}-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 326.44 |
| Molecular Formula: | C20 H26 N2 O2 |
| Smiles: | CC(N1CCc2ccccc2C1CNC1CC(C)(C)CC(C=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5567 |
| logD: | 2.5566 |
| logSw: | -2.6483 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.174 |
| InChI Key: | GJFYKZFZXRMMLN-IBGZPJMESA-N |