330180-82-0
Product Name:
(2E)-1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-phenylprop-2-en-1-one
Formula:
C23H21NO2S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 439.6 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 439.07344243 g/mol |
| Monoisotopic Mass | 439.07344243 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 724 |
| 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 |