3-(2H-1,3-benzodioxol-5-yl)-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}prop-2-en-1-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}prop-2-en-1-one
3-(2H-1,3-benzodioxol-5-yl)-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}prop-2-en-1-one
Compound characteristics
| Compound ID: | K407-0379 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}prop-2-en-1-one |
| Molecular Weight: | 518.52 |
| Molecular Formula: | C28 H26 N2 O8 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(/C=C/c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.592 |
| logD: | 4.592 |
| logSw: | -4.471 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.543 |
| InChI Key: | XFUKDKKTJXDMJR-QHCPKHFHSA-N |