86759-04-8
Product Name:
1-Piperazinamine, 4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((2-(2- (dimethylamino)ethoxy)phenyl)methylene)-, trihydrochloride
Formula:
C29H35ClN4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 596.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 594.175366 g/mol |
| Monoisotopic Mass | 594.175366 g/mol |
| Topological Polar Surface Area | 56.6 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 667 |
| 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 | 4 |
| Compound Is Canonicalized | Yes |