HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-amino-8-(4-fluorophenyl)-2,3,8a-trimethyl-3,8-dihydro-1H-isoquinoline-5,7,7-tricarbonitrile
6-amino-8-(4-fluorophenyl)-2,3,8a-trimethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Identifiers & Physical Properties
| CAS No. | 488083-18-7 |
|---|---|
| Molecular formula | C21H20FN5 |
| Average molar mass | 361.4 g/mol |
| SMILES | CC1C=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccc(F)cc3)C2(C)CN1C |
| InChIKey | MNEKLXLKKDRVIN-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 101 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 1 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 835 |