332050-72-3
Product Name:
benzyl 2-((3-cyano-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
Formula:
C23H22N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 406.5 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 406.13511374 g/mol |
| Monoisotopic Mass | 406.13511374 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 667 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |