213135-53-6
Product Name:
(3S,4AS,8AS)-2-CARBOBENZYLOXY-DECAHYDRO-N-(2-HYDROXY-1,1-DIMETHYLETHYL)-3-ISOQUINOLINECARBOXAMIDE
Formula:
C22H32N2O4
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COMPUTED DESCRIPTORS
Molecular Weight | 388.5 g/mol |
---|---|
XLogP3 | 3.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 6 |
Exact Mass | 388.23620751 g/mol |
Monoisotopic Mass | 388.23620751 g/mol |
Topological Polar Surface Area | 78.9 Ų |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 545 |
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 |