AC1MSAXJ
6-amino-2-ethyl-8-(2-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: AG-205/11444055|A0844/0039553|6-amino-2-ethyl-8-(2-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile|6-amino-2-ethyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile|6-AMINO-2-ETHYL-8-(2-FLUOROPHENYL)-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE|6-amino-2-ethyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
| Molecular Formula | C20H18FN5 |
|---|---|
| Molecular Weight | 347.15463 g/mol |
| LogP | 2.57094 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.15463 |
| Monoisotopic Mass | 347.15463 |
| Heavy Atoms | 26 |
| Complexity | 910.74554 |
Chemical Identifiers
| CAS Number | 339587-73-4 |
|---|---|
| SMILES | CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3F |
Product Overview
AC1MSAXJ (CAS 339587-73-4), with molecular formula C20H18FN5 and molecular weight 347.15463 g/mol. IUPAC: 6-amino-2-ethyl-8-(2-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
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