494792-86-8
Product Name:
benzyl 6-amino-5,7,7-tricyano-8-(3,4-difluorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
Formula:
C26H19F2N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 471.5 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 471.15068119 g/mol |
| Monoisotopic Mass | 471.15068119 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 1050 |
| 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 |