AC1MQ8MA
N-cyclohexyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: Oprea1_135209|F0574-0154|N-cyclohexyl-1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide|N-CYCLOHEXYL-1-[(4-FLUOROPHENOXY)METHYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBOTHIOAMIDE|N-cyclohexyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
| Molecular Formula | C25H31FN2O3S |
|---|---|
| Molecular Weight | 458.20395 g/mol |
| LogP | 5.0283 |
| Topological Polar Surface Area | 42.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.20395 |
| Monoisotopic Mass | 458.20395 |
| Heavy Atoms | 32 |
| Complexity | 931.5294 |
Chemical Identifiers
| CAS Number | 536699-50-0 |
|---|---|
| SMILES | COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3CCCCC3)COC4=CC=C(C=C4)F)OC |
Product Overview
AC1MQ8MA (CAS 536699-50-0), with molecular formula C25H31FN2O3S and molecular weight 458.20395 g/mol. IUPAC: N-cyclohexyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
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