6-amino-2-methyl-8-(naphthalen-1-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-methyl-8-(naphthalen-1-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-methyl-8-(naphthalen-1-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8005-0081 |
| Compound Name: | 6-amino-2-methyl-8-(naphthalen-1-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 365.44 |
| Molecular Formula: | C23 H19 N5 |
| Smiles: | CN1CC=C2C(C1)C(c1cccc3ccccc13)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.053 |
| logD: | 3.0526 |
| logSw: | -3.2369 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.494 |
| InChI Key: | XINXHTCLWPEVIR-UHFFFAOYSA-N |