rel-(8R,8aR)-6-amino-8-(2-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
rel-(8R,8aR)-6-amino-8-(2-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
rel-(8R,8aR)-6-amino-8-(2-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-0029 |
| Compound Name: | rel-(8R,8aR)-6-amino-8-(2-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C21 H20 F N5 |
| Smiles: | [H][C@@]12CN(CC=C1C(C#N)=C([C@@](C#N)(C#N)[C@H]2c1ccccc1F)N)C(C)C |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8663 |
| logD: | 2.8659 |
| logSw: | -3.0623 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.153 |
| InChI Key: | OAENUUBPOGAWMI-MJGOQNOKSA-N |