AC1LREWB
benzyl (8S,8aR)-6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AM-807/14146107|(8S,8aR)-benzyl 6-amino-8-(4-(tert-butyl)phenyl)-5,7,7-tricyano-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|benzyl (8S,8aR)-6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|benzyl (8S,8aR)-6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate|benzyl 6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
| Molecular Formula | C30H29N5O2 |
|---|---|
| Molecular Weight | 491.23212 g/mol |
| LogP | 5.04624 |
| Topological Polar Surface Area | 126.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 491.23212 |
| Monoisotopic Mass | 491.23212 |
| Heavy Atoms | 37 |
| Complexity | 1365.166 |
Chemical Identifiers
| CAS Number | 494792-88-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)[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
AC1LREWB (CAS 494792-88-0), with molecular formula C30H29N5O2 and molecular weight 491.23212 g/mol. IUPAC: benzyl (8S,8aR)-6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.