6-amino-2-methyl-8-[4-(propan-2-yl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-methyl-8-[4-(propan-2-yl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-methyl-8-[4-(propan-2-yl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-0113 |
| Compound Name: | 6-amino-2-methyl-8-[4-(propan-2-yl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 357.46 |
| Molecular Formula: | C22 H23 N5 |
| Smiles: | [H]C12CN(C)CC=C2C(C#N)=C(C(C#N)(C#N)C1c1ccc(cc1)C(C)C)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2539 |
| logD: | 3.2537 |
| logSw: | -3.3178 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.765 |
| InChI Key: | IGBAROISQSVUQE-UHFFFAOYSA-N |