941398-07-8
Product Name:
β-Alanine, N-(1,1-dioxido-1,2-benzisothiazol-3-yl)-, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester
Formula:
C20H17N3O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 427.4 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 427.08380644 g/mol |
| Monoisotopic Mass | 427.08380644 g/mol |
| Topological Polar Surface Area | 131 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 825 |
| 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 |