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321430-49-3

321430-49-3 structural image
Product Name: 7-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-3-METHYL-2-SULFANYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Formula: C16H12ClF3N4OS2
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COMPUTED DESCRIPTORS

Molecular Weight 432.9 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 1
Exact Mass 432.0093155 g/mol
Monoisotopic Mass 432.0093155 g/mol
Topological Polar Surface Area 109 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 639
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

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