3-amino-7-tert-butyl-2-phenyl-1,2,6,7,8,8a-hexahydronaphthalene-1,2,4-tricarbonitrile
Chemical Structure Depiction of
3-amino-7-tert-butyl-2-phenyl-1,2,6,7,8,8a-hexahydronaphthalene-1,2,4-tricarbonitrile
3-amino-7-tert-butyl-2-phenyl-1,2,6,7,8,8a-hexahydronaphthalene-1,2,4-tricarbonitrile
Compound characteristics
| Compound ID: | Y508-0976 |
| Compound Name: | 3-amino-7-tert-butyl-2-phenyl-1,2,6,7,8,8a-hexahydronaphthalene-1,2,4-tricarbonitrile |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C23 H24 N4 |
| Smiles: | CC(C)(C)C1CC=C2C(C1)C(C#N)C(C#N)(C(=C2C#N)N)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5582 |
| logD: | 4.5579 |
| logSw: | -4.5171 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.355 |
| InChI Key: | YOIGSSDLAWGEHW-UHFFFAOYSA-N |