(2H-1,3-benzodioxol-5-yl){1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}methanone
(2H-1,3-benzodioxol-5-yl){1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Compound characteristics
| Compound ID: | K407-0455 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}methanone |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C28 H29 N O6 |
| Smiles: | CCc1ccc(cc1)OCC1c2cc(c(cc2CCN1C(c1ccc2c(c1)OCO2)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.942 |
| logD: | 4.942 |
| logSw: | -4.5941 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.689 |
| InChI Key: | JKXNCWFHPKTBQM-QHCPKHFHSA-N |