19939-38-9
Product Name:
Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-meth yl-, S-oxide, (Z)-2-butenedioate (1:1)
Formula:
C23H25ClN2O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 477.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 476.1172708 g/mol |
| Monoisotopic Mass | 476.1172708 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 587 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |