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WAY-616296

CAT: 0013-GTR19244257-07Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244257-07Size:25 mg
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Description
WAY-616296 is an active molecule.
CAS Number
503065-67-6
Purity
>98% (HPLC)
Smiles
C (=C\1/C (=O) NC (=S) N1) \C2=CC (OCC3=CC=CC=C3) =CC=C2
Molecular Formula
C17H14N2O2S
Molecular Weight
310.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(Z)-5-(3-(Benzyloxy)benzylidene)-2-thioxoimidazolidin-4-one
CAS Number503065-67-6
PubChem CID2246741
IUPAC Name(5Z)-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Molecular FormulaC17H14N2O2S
Molecular Weight310.4
XLogP3.1
Topological Polar Surface Area82.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity458
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C\3/C(=O)NC(=S)N3
InChI
InChI=1S/C17H14N2O2S/c20-16-15(18-17(22)19-16)10-13-7-4-8-14(9-13)21-11-12-5-2-1-3-6-12/h1-10H,11H2,(H2,18,19,20,22)/b15-10-
InChIKey
ROVFVJUJKZFITG-GDNBJRDFSA-N
Chemical Structure
2D Structure
2D structure of (Z)-5-(3-(Benzyloxy)benzylidene)-2-thioxoimidazolidin-4-one
CAS: 503065-67-6
CID: 2246741
Formula: C17H14N2O2S
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass310.07759887
Monoisotopic Mass310.07759887
Topological Polar Surface Area82.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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