6-amino-2-ethyl-8-[4-(methylsulfanyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-ethyl-8-[4-(methylsulfanyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-ethyl-8-[4-(methylsulfanyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8008-3009 |
| Compound Name: | 6-amino-2-ethyl-8-[4-(methylsulfanyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C21 H21 N5 S |
| Smiles: | CCN1CC=C2C(C1)C(c1ccc(cc1)SC)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.048 |
| logD: | 3.0477 |
| logSw: | -3.1018 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.825 |
| InChI Key: | GGBSXWZQGOBIFI-UHFFFAOYSA-N |