500272-21-9
Product Name:
1-ethyl-6-fluoro-4-oxo-7-[4-(phenylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid
Formula:
C23H23FN4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 454.14748994 g/mol |
| Monoisotopic Mass | 454.14748994 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 764 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |