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675142-51-5

675142-51-5 structural image
Product Name: 4-[1-hydroxy-3-(4-methoxyphenyl)-8-methyl-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Formula: C29H28N2O5S
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COMPUTED DESCRIPTORS

Molecular Weight 516.6 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 516.17189317 g/mol
Monoisotopic Mass 516.17189317 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 914
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