Bionet1_004879
1-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: Bionet1_004879|HMS582P21|KS-00001VY7|3-[(3-methylbenzyl)sulfanyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile|3T-0327|1-(3-methylphenyl)-3-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile|1-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile|1-(m-tolyl)-3-(m-tolylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C25H24N2S |
|---|---|
| Molecular Weight | 384.16602 g/mol |
| LogP | 6.40822 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.16602 |
| Monoisotopic Mass | 384.16602 |
| Heavy Atoms | 28 |
| Complexity | 1062.6284 |
Chemical Identifiers
| CAS Number | 439107-41-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=C(C3=C(CCCC3)C(=N2)C4=CC=CC(=C4)C)C#N |
Product Overview
Bionet1_004879 (CAS 439107-41-2), with molecular formula C25H24N2S and molecular weight 384.16602 g/mol. IUPAC: 1-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
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