129658-28-2
Product Name:
Benzeneethanamine, 2,5-dimethoxy-4-(heptylthio)-, (Z)-2-butenedioate ( 1:1)
Formula:
C21H33NO6S
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COMPUTED DESCRIPTORS
Molecular Weight | 427.6 g/mol |
---|---|
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 13 |
Exact Mass | 427.20285895 g/mol |
Monoisotopic Mass | 427.20285895 g/mol |
Topological Polar Surface Area | 144 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 372 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 2 |
Compound Is Canonicalized | Yes |