AC1MXIIK
1-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: KS-000034X9|2T-0339|1-(4-chlorophenyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile|1-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile|1-(4-chlorophenyl)-3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C23H17Cl3N2S |
|---|---|
| Molecular Weight | 458.0178 g/mol |
| LogP | 7.75158 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.0178 |
| Monoisotopic Mass | 458.0178 |
| Heavy Atoms | 29 |
| Complexity | 1084.3363 |
Chemical Identifiers
| CAS Number | 439096-77-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2C3=CC=C(C=C3)Cl)SCC4=C(C=CC=C4Cl)Cl)C#N |
Product Overview
AC1MXIIK (CAS 439096-77-2), with molecular formula C23H17Cl3N2S and molecular weight 458.0178 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
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