AC1LL8NB
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: ChemDiv3_005841|IDI1_023751|BAS 05590363|BRD-K98350690-001-01-0|1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone|1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone|2-((4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone|2-[5-(2-methoxyphenyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio)]-1-(2-1,2,3,4-tet rahydroisoquinolyl)ethan-1-one|2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3,4-dihydro-2(1H)-isoquinolinyl]-1-ethanone
| Molecular Formula | C23H24N4O2S |
|---|---|
| Molecular Weight | 420.162 g/mol |
| LogP | 3.8167 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.162 |
| Monoisotopic Mass | 420.162 |
| Heavy Atoms | 30 |
| Complexity | 1062.8616 |
Chemical Identifiers
| CAS Number | 522652-64-8 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)N3CCC4=CC=CC=C4C3 |
Product Overview
AC1LL8NB (CAS 522652-64-8), with molecular formula C23H24N4O2S and molecular weight 420.162 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.