6-amino-8-(2,3-dimethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(2,3-dimethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(2,3-dimethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-0698 |
| Compound Name: | 6-amino-8-(2,3-dimethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 389.46 |
| Molecular Formula: | C22 H23 N5 O2 |
| Smiles: | CCN1CC=C2C(C1)C(c1cccc(c1OC)OC)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2006 |
| logD: | 2.2003 |
| logSw: | -2.6964 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.173 |
| InChI Key: | CAGKUPBBGYWKDZ-UHFFFAOYSA-N |