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851715-81-6

851715-81-6 structural image
Product Name: ethyl 4-(diethylamino)-3-oxo-5-(thiophen-2-yl)-1,2,3,6-tetrahydro-[1,1-biphenyl]-2-carboxylate
Formula: C23H27NO3S
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COMPUTED DESCRIPTORS

Molecular Weight 397.5 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 8
Exact Mass 397.17116490 g/mol
Monoisotopic Mass 397.17116490 g/mol
Topological Polar Surface Area 74.8 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 578
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes