6-amino-8-(2,4-difluorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(2,4-difluorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(2,4-difluorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-0379 |
| Compound Name: | 6-amino-8-(2,4-difluorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 365.38 |
| Molecular Formula: | C20 H17 F2 N5 |
| Smiles: | [H]C12CN(CC)CC=C2C(C#N)=C(C(C#N)(C#N)C1c1ccc(cc1F)F)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6174 |
| logD: | 2.6172 |
| logSw: | -2.8159 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.825 |
| InChI Key: | DASOHEDSKCVXGD-UHFFFAOYSA-N |