514191-72-1
Product Name:
2-(3-bromophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Formula:
C22H12BrFN2O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 515.4 g/mol |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 513.94568 g/mol |
| Monoisotopic Mass | 513.94568 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 784 |
| 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 |