1-[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]pent-4-en-1-one
Chemical Structure Depiction of
1-[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]pent-4-en-1-one
1-[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]pent-4-en-1-one
Compound characteristics
| Compound ID: | V016-4156 |
| Compound Name: | 1-[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]pent-4-en-1-one |
| Molecular Weight: | 385.89 |
| Molecular Formula: | C22 H24 Cl N O3 |
| Smiles: | COc1cc2CCN(C(c2cc1OC)c1ccccc1[Cl])C(CCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4928 |
| logD: | 4.4928 |
| logSw: | -4.6185 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.8663 |
| InChI Key: | AWYZCWJGMLRFOJ-QFIPXVFZSA-N |