6-amino-8-(3-chlorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(3-chlorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(3-chlorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-0687 |
| Compound Name: | 6-amino-8-(3-chlorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 349.82 |
| Molecular Formula: | C19 H16 Cl N5 |
| Smiles: | CN1CC=C2C(C1)C(c1cccc(c1)[Cl])C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.524 |
| logD: | 2.5238 |
| logSw: | -3.1967 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.765 |
| InChI Key: | YIHOMAXYJIKXIL-UHFFFAOYSA-N |