AC1LJWFE
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: AN-023/42399386|1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone|1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone|2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl 4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl sulfide
| Molecular Formula | C23H20N4OS2 |
|---|---|
| Molecular Weight | 432.10785 g/mol |
| LogP | 4.6728 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.10785 |
| Monoisotopic Mass | 432.10785 |
| Heavy Atoms | 30 |
| Complexity | 1155.1869 |
Chemical Identifiers
| CAS Number | 454666-55-8 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5 |
Product Overview
AC1LJWFE (CAS 454666-55-8), with molecular formula C23H20N4OS2 and molecular weight 432.10785 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
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