86640-32-6
Product Name:
Dibenz(b,e)(1,4)oxazepine-11-ethanamine, 5,11-dihydro-5-ethyl-N,N-dime thyl-, (+-)-, (E)-2-butenedioate (1:1)
Formula:
C23H28N2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 412.19982200 g/mol |
| Monoisotopic Mass | 412.19982200 g/mol |
| Topological Polar Surface Area | 90.3 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 465 |
| 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 |