514191-67-4
Product Name:
1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Formula:
C22H12F2N2O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.5 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 454.02574092 g/mol |
| Monoisotopic Mass | 454.02574092 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 782 |
| 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 |