6-amino-8-(2,3-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(2,3-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(2,3-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8006-4429 |
| Compound Name: | 6-amino-8-(2,3-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 398.29 |
| Molecular Formula: | C20 H17 Cl2 N5 |
| Smiles: | CCN1CC=C2C(C1)C(c1cccc(c1[Cl])[Cl])C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5782 |
| logD: | 3.5779 |
| logSw: | -3.9487 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.825 |
| InChI Key: | YSBSLQRCXADTIO-UHFFFAOYSA-N |