Oprea1_460481
N-benzyl-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: Oprea1_460481|F0574-0007|N-benzyl-1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide|N-benzyl-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide|N-benzyl-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide
| Molecular Formula | C28H32N2O3S |
|---|---|
| Molecular Weight | 476.21338 g/mol |
| LogP | 5.3191 |
| Topological Polar Surface Area | 42.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.21338 |
| Monoisotopic Mass | 476.21338 |
| Heavy Atoms | 34 |
| Complexity | 1102.639 |
Chemical Identifiers
| CAS Number | 536698-48-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCC4=CC=CC=C4)OC)OC |
Product Overview
Oprea1_460481 (CAS 536698-48-3), with molecular formula C28H32N2O3S and molecular weight 476.21338 g/mol. IUPAC: N-benzyl-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
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