494792-93-7
Product Name:
2-amino-6-tert-butyl-4-(2-isopropoxyphenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
Formula:
C26H30N4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 414.5 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 414.24196159 g/mol |
| Monoisotopic Mass | 414.24196159 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 907 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |