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477768-56-2

477768-56-2 structural image
Product Name: METHYL 3-BENZOYL-2-(4-CHLOROPHENYL)-1,3-THIAZOLANE-4-CARBOXYLATE
Formula: C18H16ClNO3S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 34.1 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 361.8 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 361.0539422 g/mol
Monoisotopic Mass 361.0539422 g/mol
Topological Polar Surface Area 71.9 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 461
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