1-[1-(4-chlorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbut-2-en-1-one
Chemical Structure Depiction of
1-[1-(4-chlorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbut-2-en-1-one
1-[1-(4-chlorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbut-2-en-1-one
Compound characteristics
| Compound ID: | V012-7293 |
| Compound Name: | 1-[1-(4-chlorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbut-2-en-1-one |
| Molecular Weight: | 325.84 |
| Molecular Formula: | C20 H20 Cl N O |
| Smiles: | CC(C)=CC(N1CCc2ccccc2C1c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.421 |
| logD: | 5.421 |
| logSw: | -6.1415 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 15.6054 |
| InChI Key: | RGBQOUKSPQNUIU-FQEVSTJZSA-N |