AC1LRDRX
benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AM-807/13104331|benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|benzyl 6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate|(8R,8aR)-benzyl 6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C27H22FN5O3 |
|---|---|
| Molecular Weight | 483.17065 g/mol |
| LogP | 3.89644 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.17065 |
| Monoisotopic Mass | 483.17065 |
| Heavy Atoms | 36 |
| Complexity | 1366.8447 |
Chemical Identifiers
| CAS Number | 494792-40-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)F)[C@@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4 |
Product Overview
AC1LRDRX (CAS 494792-40-4), with molecular formula C27H22FN5O3 and molecular weight 483.17065 g/mol. IUPAC: benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.