336175-25-8
Product Name:
dimethyl 2-(1-(2-butenoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
Formula:
C22H21NO5S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 475.6 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 475.05818629 g/mol |
| Monoisotopic Mass | 475.05818629 g/mol |
| Topological Polar Surface Area | 156 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 888 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |