AC1LLLEC
ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: BAS 06900581|AM-807/14146096|ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|(8R,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate|ethyl 6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
| Molecular Formula | C21H17F2N5O2 |
|---|---|
| Molecular Weight | 409.13504 g/mol |
| LogP | 2.84664 |
| Topological Polar Surface Area | 126.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.13504 |
| Monoisotopic Mass | 409.13504 |
| Heavy Atoms | 30 |
| Complexity | 1076.0847 |
Chemical Identifiers
| CAS Number | 494792-80-2 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)F)F |
Product Overview
AC1LLLEC (CAS 494792-80-2), with molecular formula C21H17F2N5O2 and molecular weight 409.13504 g/mol. IUPAC: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.