(2H-1,3-benzodioxol-5-yl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
(2H-1,3-benzodioxol-5-yl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Compound characteristics
| Compound ID: | K407-0145 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone |
| Molecular Weight: | 492.48 |
| Molecular Formula: | C26 H24 N2 O8 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9371 |
| logD: | 3.9371 |
| logSw: | -4.0909 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.071 |
| InChI Key: | HURFEZRWDQGQAW-NRFANRHFSA-N |