IXA4

CAT: 0127-BUP07802-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07802-03Size:10 mg

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CAS Number

1185329-96-7

Purity

=95%

Smiles

CN(CCOc1ccc(C)cc1)C(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1

Chemical Information

N-(1-((methyl(2-(4-methylphenoxy)ethyl)carbamoyl)methyl)-1H-pyrazol-4-yl)-3-phenoxypropanamide

CAS Number	1185329-96-7
PubChem CID	26357859
IUPAC Name	N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
Molecular Formula	C24H28N4O4
Molecular Weight	436.5
XLogP	2.7
Topological Polar Surface Area	85.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	32
Formal Charge	0
Complexity	576

SMILES

CC1=CC=C(C=C1)OCCN(C)C(=O)CN2C=C(C=N2)NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H28N4O4/c1-19-8-10-22(11-9-19)32-15-13-27(2)24(30)18-28-17-20(16-25-28)26-23(29)12-14-31-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,26,29)

InChIKey

ZVSKMVAWWBSNOY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1185329-96-7

CID: 26357859

Formula: C24H28N4O4

MW: 436.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	436.5
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	436.21105539
Monoisotopic Mass	436.21105539
Topological Polar Surface Area	85.7 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	576
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

Alternative Products

Catalog	Name
BA4208-100	IXA4

IXA4

Chemical Information

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