6-amino-8-(2,4-difluorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(2,4-difluorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(2,4-difluorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8006-8560 |
| Compound Name: | 6-amino-8-(2,4-difluorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 351.36 |
| Molecular Formula: | C19 H15 F2 N5 |
| Smiles: | CN1CC=C2C(C1)C(c1ccc(cc1F)F)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2045 |
| logD: | 2.2043 |
| logSw: | -2.5549 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.765 |
| InChI Key: | DOUUEAURWIGEGL-UHFFFAOYSA-N |