6-amino-8-(2-chlorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(2-chlorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(2-chlorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-0110 |
| Compound Name: | 6-amino-8-(2-chlorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 377.88 |
| Molecular Formula: | C21 H20 Cl N5 |
| Smiles: | [H]C12CN(CC=C2C(C#N)=C(C(C#N)(C#N)C1c1ccccc1[Cl])N)C(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3076 |
| logD: | 3.3073 |
| logSw: | -3.5374 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.153 |
| InChI Key: | ILIQYWQMSHRTHR-UHFFFAOYSA-N |