494792-76-6
Product Name:
6-amino-2-benzyl-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Formula:
C27H25N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 451.5 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 451.20082506 g/mol |
| Monoisotopic Mass | 451.20082506 g/mol |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 966 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |