716333-90-3
Product Name:
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-7-[4-[[(2-fluorophenyl)aMino]thioxoMethyl]-3-Methyl-1-piperazinyl]-1,4-dihydro-8-Methoxy-4-oxo-
Formula:
C26H26F2N4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 528.6 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 528.16428282 g/mol |
| Monoisotopic Mass | 528.16428282 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 950 |
| 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 |