2-acetyl-6-amino-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
2-acetyl-6-amino-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
2-acetyl-6-amino-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8006-8562 |
| Compound Name: | 2-acetyl-6-amino-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C20 H15 F2 N5 O |
| Smiles: | CC(N1CC=C2C(C1)C(c1ccc(cc1F)F)C(C#N)(C#N)C(=C2C#N)N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9381 |
| logD: | 1.938 |
| logSw: | -2.7285 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.484 |
| InChI Key: | QJLPMZJGRMQJAB-UHFFFAOYSA-N |