85573-73-5
Product Name:
(2S,5R)-3α-Chloromethyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid benzhydryl ester
Formula:
C21H20ClNO3S
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COMPUTED DESCRIPTORS
Molecular Weight | 401.9 g/mol |
---|---|
XLogP3 | 4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 6 |
Exact Mass | 401.0852424 g/mol |
Monoisotopic Mass | 401.0852424 g/mol |
Topological Polar Surface Area | 71.9 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 558 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 3 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |