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318949-12-1

318949-12-1 structural image
Product Name: 1-(1-METHYL-5-[(4-METHYLPHENYL)SULFANYL]-3-PHENYL-1H-PYRAZOL-4-YL)-3-PHENYL-2-PROPYN-1-OL
Formula: C26H22N2OS
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COMPUTED DESCRIPTORS

Molecular Weight 410.5 g/mol
XLogP3 5.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 410.14528450 g/mol
Monoisotopic Mass 410.14528450 g/mol
Topological Polar Surface Area 63.4 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 593
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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