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331645-84-2

331645-84-2 structural image
Product Name: 2-[(3,4-DICHLOROPHENYL)AMINO]-1,4-DIHYDRO-6-NITRO-4-OXO-N-2-PROPENYL-8-QUINAZOLINECARBOXAMIDE
Formula: C18H13Cl2N5O4
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COMPUTED DESCRIPTORS

Molecular Weight 434.2 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 433.0344593 g/mol
Monoisotopic Mass 433.0344593 g/mol
Topological Polar Surface Area 128 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 713
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-(3,4-dichloroanilino)-6-nitro-4-oxo-N-prop-2-enyl-1H-quinazoline-8-carboxamide is a member of quinazolines.