AC1LLKXL
(8R,8aR)-6-amino-8-(2,4-difluorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 06899789|6-amino-8-(2,4-difluorophenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile|AM-807/12740218|(8R,8aR)-6-amino-8-(2,4-difluorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile|(8R,8aR)-6-amino-8-(2,4-difluorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C21H19F2N5 |
|---|---|
| Molecular Weight | 379.16086 g/mol |
| LogP | 3.10014 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.16086 |
| Monoisotopic Mass | 379.16086 |
| Heavy Atoms | 28 |
| Complexity | 975.51904 |
Chemical Identifiers
| CAS Number | 445462-63-5 |
|---|---|
| SMILES | CCCN1CC=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
AC1LLKXL (CAS 445462-63-5), with molecular formula C21H19F2N5 and molecular weight 379.16086 g/mol. IUPAC: (8R,8aR)-6-amino-8-(2,4-difluorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
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