AC1MKF3V
6-amino-8-(2-chloro-6-fluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: Oprea1_111101|BAS 07415493|AK-777/09838045|SR-01000423411-1|6-amino-8-(2-chloro-6-fluorophenyl)-2-isopropyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile|6-amino-8-(2-chloro-6-fluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile|6-amino-8-(2-chloro-6-fluorophenyl)-2-(methylethyl)-1,2,3,7,8,8a-hexahydroisoq uinoline-5,7,7-tricarbonitrile|6-AMINO-8-(2-CHLORO-6-FLUOROPHENYL)-2-(PROPAN-2-YL)-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE|6-amino-8-(2-chloro-6-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C21H19ClFN5 |
|---|---|
| Molecular Weight | 395.1313 g/mol |
| LogP | 3.61284 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.1313 |
| Monoisotopic Mass | 395.1313 |
| Heavy Atoms | 28 |
| Complexity | 970.843 |
Chemical Identifiers
| CAS Number | 313380-03-9 |
|---|---|
| SMILES | CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC=C3Cl)F |
Product Overview
AC1MKF3V (CAS 313380-03-9), with molecular formula C21H19ClFN5 and molecular weight 395.1313 g/mol. IUPAC: 6-amino-8-(2-chloro-6-fluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
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