956974-35-9
Product Name:
(12aS)-2-cyclooctyl-6-(2-ethoxyphenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
Formula:
C30H35N3O3
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COMPUTED DESCRIPTORS
Molecular Weight | 485.6 g/mol |
---|---|
XLogP3 | 5.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 4 |
Exact Mass | 485.26784199 g/mol |
Monoisotopic Mass | 485.26784199 g/mol |
Topological Polar Surface Area | 65.6 Ų |
Heavy Atom Count | 36 |
Formal Charge | 0 |
Complexity | 796 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |