6-amino-2-benzyl-8-(3-bromophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-benzyl-8-(3-bromophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-benzyl-8-(3-bromophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-0327 |
| Compound Name: | 6-amino-2-benzyl-8-(3-bromophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 470.37 |
| Molecular Formula: | C25 H20 Br N5 |
| Smiles: | [H]C12CN(CC=C2C(C#N)=C(C(C#N)(C#N)C1c1cccc(c1)[Br])N)Cc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3314 |
| logD: | 4.3311 |
| logSw: | -4.5731 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.829 |
| InChI Key: | XKNWLFNYEXRBDK-UHFFFAOYSA-N |