4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzonitrile
Chemical Structure Depiction of
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzonitrile
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | C301-4616 |
| Compound Name: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzonitrile |
| Molecular Weight: | 248.33 |
| Molecular Formula: | C17 H16 N2 |
| Smiles: | C1CN(Cc2ccc(C#N)cc2)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.2661 |
| logD: | 3.1003 |
| logSw: | -3.0671 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 20.6891 |
| InChI Key: | NABAIZQIONKDGZ-UHFFFAOYSA-N |