370854-26-5
Product Name:
methyl 2-((4-(benzo[d][1,3]dioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate
Formula:
C20H18N2O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 398.4 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 398.09364285 g/mol |
| Monoisotopic Mass | 398.09364285 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 796 |
| 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 |