315239-17-9
Product Name:
ethyl 2-((5-((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate
Formula:
C25H20N4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 472.5 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 472.12052631 g/mol |
| Monoisotopic Mass | 472.12052631 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 746 |
| 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 |