7-amino-8-(2-chlorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,5,6(1H)-tricarbonitrile
Chemical Structure Depiction of
7-amino-8-(2-chlorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,5,6(1H)-tricarbonitrile
7-amino-8-(2-chlorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,5,6(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | Y508-0981 |
| Compound Name: | 7-amino-8-(2-chlorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,5,6(1H)-tricarbonitrile |
| Molecular Weight: | 377.88 |
| Molecular Formula: | C21 H20 Cl N5 |
| Smiles: | CC(C)N1CC=C2C(C1)C(C(=C(C#N)C2(C#N)C#N)N)c1ccccc1[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3458 |
| logD: | 3.3458 |
| logSw: | -3.5401 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.153 |
| InChI Key: | ZEGQZSZKEBETKS-UHFFFAOYSA-N |