WZ 3146

CAT: 0024-sc-364654ASize: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-364654ASize:10 mg

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CAS Number

1214265-56-1

Chemical Information

WZ-3146

N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide is a member of piperazines.

CAS Number	1214265-56-1
PubChem CID	44607360
IUPAC Name	N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Molecular Formula	C24H25ClN6O2
Molecular Weight	464.9
XLogP	4.3
Topological Polar Surface Area	82.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	638

SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl

InChI

InChI=1S/C24H25ClN6O2/c1-3-22(32)27-18-5-4-6-20(15-18)33-23-21(25)16-26-24(29-23)28-17-7-9-19(10-8-17)31-13-11-30(2)12-14-31/h3-10,15-16H,1,11-14H2,2H3,(H,27,32)(H,26,28,29)

InChIKey

APHGZZPEOCCYNO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1214265-56-1

CID: 44607360

Formula: C24H25ClN6O2

MW: 464.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	464.9
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	464.1727518
Monoisotopic Mass	464.1727518
Topological Polar Surface Area	82.6 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	638
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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