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321522-14-9

321522-14-9 structural image
Product Name: 7-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-5-[(E)-2-PHENYLETHENYL]TETRAHYDROPYRROLO[3',4':3,4]PYRROLO[1,2-C][1,3]THIAZOLE-6,8(1H,7H)-DIONE
Formula: C24H22ClF3N4O2S
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COMPUTED DESCRIPTORS

Molecular Weight 523.0 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 6
Exact Mass 522.1104093 g/mol
Monoisotopic Mass 522.1104093 g/mol
Topological Polar Surface Area 90.8 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 840
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 4
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes