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257292-29-8

257292-29-8 structural image
Product Name: 3-[7-(2,4-DIMETHOXYPHENYL)-2,3,6,7-TETRAHYDRO-1,4-THIAZEPIN-5-YL]-4-HYDROXY-6-METHYL-2H-PYRAN-2-ONE
Formula: C19H21NO5S
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COMPUTED DESCRIPTORS

Molecular Weight 375.4 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 375.11404394 g/mol
Monoisotopic Mass 375.11404394 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 642
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione is a dimethoxybenzene.