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115104-28-4

115104-28-4 structural image
Product Name: (E)-3-[[[3-[2-(7-CHLORO-2-QUINOLINYL)ETHENYL]PHENYL]-[[(3-DIMETHYLAMINO)-3-OXOPROPYL]THIO]METHYL]THIO]-PROPANOIC ACID, SODIUM SALT
Formula: C26H27ClN2O3S2
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COMPUTED DESCRIPTORS

Molecular Weight 515.1 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 11
Exact Mass 514.1151628 g/mol
Monoisotopic Mass 514.1151628 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 693
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

MK 571 is a member of quinolines.