6-amino-2-benzyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-benzyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-benzyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8003-0528 |
| Compound Name: | 6-amino-2-benzyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C25 H20 F N5 |
| Smiles: | C1C=C2C(CN1Cc1ccccc1)C(c1ccccc1F)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.621 |
| logD: | 3.6208 |
| logSw: | -3.6016 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.829 |
| InChI Key: | MXCNQLUGHKUFQM-UHFFFAOYSA-N |