144980-77-8
Product Name:
1,2-Benzisothiazol-3(2H)-one, 2-[4-[[[(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl]amino]butyl]-, 1,1-dioxide, hydrochloride (1:1)
Formula:
C21H24N2O4S.ClH
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COMPUTED DESCRIPTORS
| Molecular Weight | 437.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 436.1223562 g/mol |
| Monoisotopic Mass | 436.1223562 g/mol |
| Topological Polar Surface Area | 84.1 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 647 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |