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PXYD3

CAT: 0013-GTR19186469-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186469-01Size:25 mg
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Description
PXYD3
CAS Number
2680554-46-3
Field of Research
Infectious Disease & Virology
Smiles
O=C1C=2C (OC (=C1) C3=CC=CC=C3) =CC (OCC (NCC4=CC (C) =CC=C4) =O) =CC2O
Molecular Formula
C25H21NO5
Molecular Weight
415.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-[(3-methylphenyl)methyl]acetamide
CAS Number2680554-46-3
PubChem CID162673597
IUPAC Name2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-[(3-methylphenyl)methyl]acetamide
Molecular FormulaC25H21NO5
Molecular Weight415.4
XLogP3.6
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity671
SMILES
CC1=CC(=CC=C1)CNC(=O)COC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O
InChI
InChI=1S/C25H21NO5/c1-16-6-5-7-17(10-16)14-26-24(29)15-30-19-11-20(27)25-21(28)13-22(31-23(25)12-19)18-8-3-2-4-9-18/h2-13,27H,14-15H2,1H3,(H,26,29)
InChIKey
FEEMGPHIWVTBJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-[(3-methylphenyl)methyl]acetamide
CAS: 2680554-46-3
CID: 162673597
Formula: C25H21NO5
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass415.14197277
Monoisotopic Mass415.14197277
Topological Polar Surface Area84.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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