E-5324 10mg

CAT: 0628-A20707-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A20707-10Size:10 mg

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CAS Number

141799-76-0

Chemical Information

E 5324

structure given in first source

CAS Number	141799-76-0
PubChem CID	132377
IUPAC Name	1-butyl-3-[2-[3-(5-ethyl-4-phenylimidazol-1-yl)propoxy]-6-methylphenyl]urea
Molecular Formula	C26H34N4O2
Molecular Weight	434.6
XLogP	5.1
Topological Polar Surface Area	68.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	11
Heavy Atom Count	32
Formal Charge	0
Complexity	540

SMILES

CCCCNC(=O)NC1=C(C=CC=C1OCCCN2C=NC(=C2CC)C3=CC=CC=C3)C

InChI

InChI=1S/C26H34N4O2/c1-4-6-16-27-26(31)29-24-20(3)12-10-15-23(24)32-18-11-17-30-19-28-25(22(30)5-2)21-13-8-7-9-14-21/h7-10,12-15,19H,4-6,11,16-18H2,1-3H3,(H2,27,29,31)

InChIKey

NQZTZGNLFLQHKG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 141799-76-0

CID: 132377

Formula: C26H34N4O2

MW: 434.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	434.6
XLogP3	5.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	11
Exact Mass	434.26817634
Monoisotopic Mass	434.26817634
Topological Polar Surface Area	68.2 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	540
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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