6-amino-8-(2,3-dimethoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(2,3-dimethoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile
6-amino-8-(2,3-dimethoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | Y508-0986 |
| Compound Name: | 6-amino-8-(2,3-dimethoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C23 H25 N5 O2 |
| Smiles: | CC(C)N1CC=C2C(C1)C(C(C#N)=C(C2(C#N)C#N)N)c1cccc(c1OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5613 |
| logD: | 2.5613 |
| logSw: | -2.8678 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.5 |
| InChI Key: | MMOHUFIPHDTVMW-UHFFFAOYSA-N |