847393-57-1
Product Name:
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((4-(4-fluorophenyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)ethan-1-one
Formula:
C25H24FN5OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 461.6 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 461.16855974 g/mol |
| Monoisotopic Mass | 461.16855974 g/mol |
| Topological Polar Surface Area | 81.2 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 663 |
| 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 |