AC1NNJHZ
ethyl 4-[[2-[(4-fluorophenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
Also Known As: Oprea1_353854|F0574-0321|ethyl 4-((2-((4-fluorophenyl)carbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate|ethyl 4-({2-[(4-fluorophenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate|ethyl 4-[[2-[(4-fluorophenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
| Molecular Formula | C28H29FN2O5S |
|---|---|
| Molecular Weight | 524.1781 g/mol |
| LogP | 5.3948 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.1781 |
| Monoisotopic Mass | 524.1781 |
| Heavy Atoms | 37 |
| Complexity | 1250.6774 |
Chemical Identifiers
| CAS Number | 536701-17-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=C(C=C4)F)OC)OC |
Product Overview
AC1NNJHZ (CAS 536701-17-4), with molecular formula C28H29FN2O5S and molecular weight 524.1781 g/mol. IUPAC: ethyl 4-[[2-[(4-fluorophenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate.
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