6-amino-8-(4-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(4-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(4-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-0112 |
| Compound Name: | 6-amino-8-(4-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]C12CN(CC=C2C(C#N)=C(C(C#N)(C#N)C1c1ccc(cc1)F)N)C(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.754 |
| logD: | 2.7535 |
| logSw: | -2.995 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.153 |
| InChI Key: | ZMTLCAPZKNXEDU-UHFFFAOYSA-N |