AC1NAQ07
N-tert-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: Oprea1_397734|AB00684483-01|F0574-0189|N-(tert-butyl)-6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide|N-tert-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide|N-tert-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
| Molecular Formula | C23H29N3O5S |
|---|---|
| Molecular Weight | 459.1828 g/mol |
| LogP | 4.2632 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1828 |
| Monoisotopic Mass | 459.1828 |
| Heavy Atoms | 32 |
| Complexity | 988.36176 |
Chemical Identifiers
| CAS Number | 536699-85-1 |
|---|---|
| SMILES | CC(C)(C)NC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC |
Product Overview
AC1NAQ07 (CAS 536699-85-1), with molecular formula C23H29N3O5S and molecular weight 459.1828 g/mol. IUPAC: N-tert-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
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