383896-20-6
Product Name:
ethyl 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:
C21H20N2O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.5 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 412.10929292 g/mol |
| Monoisotopic Mass | 412.10929292 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 811 |
| 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 |