KW-2449 100mg

CAT: 0628-A10508-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A10508-100Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1000669-72-6

Chemical Information

Kw-2449

[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(1-piperazinyl)methanone is a member of indazoles.

CAS Number	1000669-72-6
PubChem CID	11427553
IUPAC Name	[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone
Molecular Formula	C20H20N4O
Molecular Weight	332.4
XLogP	2.7
Topological Polar Surface Area	61
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	480

SMILES

C1CN(CCN1)C(=O)C2=CC=C(C=C2)/C=C/C3=NNC4=CC=CC=C43

InChI

InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+

InChIKey

YYLKKYCXAOBSRM-JXMROGBWSA-N

Chemical Structure

2D Structure

CAS: 1000669-72-6

CID: 11427553

Formula: C20H20N4O

MW: 332.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.4
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	332.16371127
Monoisotopic Mass	332.16371127
Topological Polar Surface Area	61 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	480
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T2341-01	KW-2449
A4123-5.1	KW 2449