AC1O75EL
methyl 4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,3,8,8a-tetrahydroisoquinolin-8-yl]benzoate
Also Known As: BAS 06899699|AM-807/13614244|methyl 4-(6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydro-8-isoquinolinyl)benzoate|methyl 4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,3,8,8a-tetrahydroisoquinolin-8-yl]benzoate|methyl 4-((8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl)benzoate|methyl 4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl]benzoate
| Molecular Formula | C21H19N5O2 |
|---|---|
| Molecular Weight | 373.15387 g/mol |
| LogP | 1.82834 |
| Topological Polar Surface Area | 126.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.15387 |
| Monoisotopic Mass | 373.15387 |
| Heavy Atoms | 28 |
| Complexity | 987.20715 |
Chemical Identifiers
| CAS Number | 459147-98-9 |
|---|---|
| SMILES | CN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C(=O)OC |
Product Overview
AC1O75EL (CAS 459147-98-9), with molecular formula C21H19N5O2 and molecular weight 373.15387 g/mol. IUPAC: methyl 4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,3,8,8a-tetrahydroisoquinolin-8-yl]benzoate.
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