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329701-66-8

329701-66-8 structural image
Product Name: 2-[(4-BROMOPHENYL)SULFONYL]-4-BUTYL-5-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Formula: C18H18BrN3O3S
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COMPUTED DESCRIPTORS

Molecular Weight 436.3 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 435.02523 g/mol
Monoisotopic Mass 435.02523 g/mol
Topological Polar Surface Area 78.4 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 633
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