86759-08-2
Product Name:
1-Piperazinamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)- N-((3-(2-(dimethylamino)ethoxy)phenyl)methylene)-, hydrochloride, hydr ate (1:1:1)
Formula:
C29H33ClN4OS.ClH.H2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 557.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 556.1830383 g/mol |
| Monoisotopic Mass | 556.1830383 g/mol |
| Topological Polar Surface Area | 56.6 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 703 |
| 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 |