2-ethyl-1-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one
Chemical Structure Depiction of
2-ethyl-1-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one
2-ethyl-1-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one
Compound characteristics
| Compound ID: | V031-2171 |
| Compound Name: | 2-ethyl-1-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one |
| Molecular Weight: | 321.46 |
| Molecular Formula: | C22 H27 N O |
| Smiles: | CCC(CC)C(N1CCc2ccccc2C1c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8208 |
| logD: | 5.8208 |
| logSw: | -5.4915 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 16.1328 |
| InChI Key: | VJUMFZBCOFTWOE-NRFANRHFSA-N |