446278-68-8
Product Name:
2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
Formula:
C28H27N5O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 529.6 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 529.17837553 g/mol |
| Monoisotopic Mass | 529.17837553 g/mol |
| Topological Polar Surface Area | 132 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 810 |
| 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 |