6-amino-8-(2,3-dichlorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(2,3-dichlorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(2,3-dichlorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-0027 |
| Compound Name: | 6-amino-8-(2,3-dichlorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 384.27 |
| Molecular Formula: | C19 H15 Cl2 N5 |
| Smiles: | [H]C12CN(C)CC=C2C(C#N)=C(C(C#N)(C#N)C1c1cccc(c1[Cl])[Cl])N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1653 |
| logD: | 3.165 |
| logSw: | -3.5705 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.765 |
| InChI Key: | YOLRNVSNNJRUDP-UHFFFAOYSA-N |