1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbut-2-en-1-one
Chemical Structure Depiction of
1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbut-2-en-1-one
1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbut-2-en-1-one
Compound characteristics
| Compound ID: | V031-3309 |
| Compound Name: | 1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbut-2-en-1-one |
| Molecular Weight: | 385.89 |
| Molecular Formula: | C22 H24 Cl N O3 |
| Smiles: | CC(C)=CC(N1CCc2cc(c(cc2C1c1cccc(c1)[Cl])OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5791 |
| logD: | 4.5791 |
| logSw: | -4.7781 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.8663 |
| InChI Key: | OOLBGUFUQFTXNM-QFIPXVFZSA-N |