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JW 55

CAT: 0127-BUP13785-05Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13785-05Size:200 mg
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CAS Number
664993-53-7
Synonyms
JW55
Purity
=98%
Smiles
COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCOCC1

Chemical Information

JW 55

N-[4-[[[4-(4-methoxyphenyl)-4-oxanyl]methylamino]-oxomethyl]phenyl]-2-furancarboxamide is a member of furans and an aromatic amide.

CAS Number664993-53-7
PubChem CID2946601
IUPAC NameN-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
Molecular FormulaC25H26N2O5
Molecular Weight434.5
XLogP3.5
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity620
SMILES
COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4
InChI
InChI=1S/C25H26N2O5/c1-30-21-10-6-19(7-11-21)25(12-15-31-16-13-25)17-26-23(28)18-4-8-20(9-5-18)27-24(29)22-3-2-14-32-22/h2-11,14H,12-13,15-17H2,1H3,(H,26,28)(H,27,29)
InChIKey
ZJZWZIXSGNFWQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of JW 55
CAS: 664993-53-7
CID: 2946601
Formula: C25H26N2O5
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass434.18417193
Monoisotopic Mass434.18417193
Topological Polar Surface Area89.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity620
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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