86758-91-0
Product Name:
1-Piperazinamine, 4-(2,8-dichloro-10,11-dihydrodibenzo(b,f)thiepin-10- yl)-N-(phenylmethylene)-
Formula:
C25H23Cl2N3S
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COMPUTED DESCRIPTORS
Molecular Weight | 468.4 g/mol |
---|---|
XLogP3 | 6.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 3 |
Exact Mass | 467.0989743 g/mol |
Monoisotopic Mass | 467.0989743 g/mol |
Topological Polar Surface Area | 44.1 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 606 |
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 | 1 |
Compound Is Canonicalized | Yes |