CAY10566 25mg

CAT: 0628-A16936-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A16936-25Size:25 mg

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CAS Number

944808-88-2

Chemical Information

2-(6-(4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole

2-(6-(4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole is an organic molecular entity.

CAS Number	944808-88-2
PubChem CID	16732433
IUPAC Name	2-[6-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-5-methyl-1,3,4-oxadiazole
Molecular Formula	C18H17ClFN5O2
Molecular Weight	389.8
XLogP	3.2
Topological Polar Surface Area	77.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	485

SMILES

CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl

InChI

InChI=1S/C18H17ClFN5O2/c1-11-21-24-18(26-11)15-4-5-17(23-22-15)25-8-6-13(7-9-25)27-16-10-12(20)2-3-14(16)19/h2-5,10,13H,6-9H2,1H3

InChIKey

WFOFPVXMPTVOTJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 944808-88-2

CID: 16732433

Formula: C18H17ClFN5O2

MW: 389.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	389.8
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	389.1054807
Monoisotopic Mass	389.1054807
Topological Polar Surface Area	77.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	485
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

Catalog	Name
M22614-01	CAY10566
1050-25mg	DAPI, 25mg