296272-41-8
Product Name:
(E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Formula:
C22H18N2O3S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.6 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 454.04795596 g/mol |
| Monoisotopic Mass | 454.04795596 g/mol |
| Topological Polar Surface Area | 149 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 809 |
| 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 |