2-acetyl-6-amino-8-(3-chlorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
2-acetyl-6-amino-8-(3-chlorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
2-acetyl-6-amino-8-(3-chlorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8005-2628 |
| Compound Name: | 2-acetyl-6-amino-8-(3-chlorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 377.83 |
| Molecular Formula: | C20 H16 Cl N5 O |
| Smiles: | CC(N1CC=C2C(C1)C(c1cccc(c1)[Cl])C(C#N)(C#N)C(=C2C#N)N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2577 |
| logD: | 2.2575 |
| logSw: | -3.1573 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.484 |
| InChI Key: | KLMBDPUGTJDZFB-UHFFFAOYSA-N |