6-amino-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8006-4523 |
| Compound Name: | 6-amino-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 301.35 |
| Molecular Formula: | C18 H15 N5 |
| Smiles: | C1C=C2C(CN1)C(c1ccccc1)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.783 |
| logD: | 1.7823 |
| logSw: | -1.8833 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.247 |
| InChI Key: | UHNPDLQGSMYSLE-UHFFFAOYSA-N |