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865246-90-8

865246-90-8 structural image
Product Name: ethyl (Z)-3-(2-ethoxy-2-oxoethyl)-2-((2-methylbenzoyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
Formula: C22H22N2O5S
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COMPUTED DESCRIPTORS

Molecular Weight 426.5 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 426.12494298 g/mol
Monoisotopic Mass 426.12494298 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 682
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