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885270-40-6

885270-40-6 structural image
Product Name: 4-CHLORO-2-(METHYLSULFONYL)-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-E][1,4]DIAZEPIN-5-ONE
Formula: C8H9ClN4O3S
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COMPUTED DESCRIPTORS

Molecular Weight 276.70 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 276.0083890 g/mol
Monoisotopic Mass 276.0083890 g/mol
Topological Polar Surface Area 109 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 410
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