652969-01-2
Product Name:
3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate (1:1)
Formula:
C30H41ClN2O9S
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COMPUTED DESCRIPTORS
Molecular Weight | 641.2 g/mol |
---|---|
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 11 |
Rotatable Bond Count | 12 |
Exact Mass | 640.2221298 g/mol |
Monoisotopic Mass | 640.2221298 g/mol |
Topological Polar Surface Area | 180 Ų |
Heavy Atom Count | 43 |
Formal Charge | 0 |
Complexity | 1050 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 2 |
Compound Is Canonicalized | Yes |