1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-({[4-(propan-2-yl)phenyl]methyl}amino)phenyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-({[4-(propan-2-yl)phenyl]methyl}amino)phenyl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-({[4-(propan-2-yl)phenyl]methyl}amino)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | V022-6498 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-({[4-(propan-2-yl)phenyl]methyl}amino)phenyl]ethan-1-one |
| Molecular Weight: | 398.55 |
| Molecular Formula: | C27 H30 N2 O |
| Smiles: | CC(C)c1ccc(CNc2ccc(CC(N3CCc4ccccc4C3)=O)cc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7864 |
| logD: | 5.7863 |
| logSw: | -5.5379 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.2558 |
| InChI Key: | NYNVAFHWOZAGKU-UHFFFAOYSA-N |