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XR 334

CAT: 0931-T35186Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T35186Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74720-35-7
Target
Others
Related Pathways
Others
Bioactivity
XR 334 is a biochemical.
Smiles
C(=C\1/C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)N1)\C3=CC=C(OC)C=C3
Molecular Formula
C19H16N2O3
Molecular Weight
320.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

XR 334

XR-334 is a member of methoxybenzenes.

CAS Number74720-35-7
PubChem CID9797139
IUPAC Name(3Z,6Z)-3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
Molecular FormulaC19H16N2O3
Molecular Weight320.3
XLogP2.9
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity539
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)N/C(=C\C3=CC=CC=C3)/C(=O)N2
InChI
InChI=1S/C19H16N2O3/c1-24-15-9-7-14(8-10-15)12-17-19(23)20-16(18(22)21-17)11-13-5-3-2-4-6-13/h2-12H,1H3,(H,20,23)(H,21,22)/b16-11-,17-12-
InChIKey
QMUALMJMQXNBIA-LSQIQBGYSA-N
Chemical Structure
2D Structure
2D structure of XR 334
CAS: 74720-35-7
CID: 9797139
Formula: C19H16N2O3
MW: 320.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.3
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass320.11609238
Monoisotopic Mass320.11609238
Topological Polar Surface Area67.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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