83975-62-6
Product Name:
Piperidine, 4-(7-fluoro-2-methoxy-11H-dibenz(b,e)(1,4)oxathiepin-11-yl )-1-methyl-, (Z)-2-butenedioate (1:1)
Formula:
C20H22FNO2S.C4H4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 475.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 475.14648688 g/mol |
| Monoisotopic Mass | 475.14648688 g/mol |
| Topological Polar Surface Area | 122 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 564 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |