CCR2 antagonist 3 5mg

CAT: 0628-A20467-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A20467-5Size:5 mg

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CAS Number

1380100-86-6

Chemical Information

Azd-2927

a potassium channel blocking agent with antiarrhythmic activity; structure in first source

CAS Number	1380100-86-6
PubChem CID	57345449
IUPAC Name	4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
Molecular Formula	C17H25FN2O2
Molecular Weight	308.4
XLogP	2.4
Topological Polar Surface Area	43.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	385

SMILES

CC1=C(C=CC(=C1)C(=O)N(C)[C@H](CN2CC(C2)O)C(C)C)F

InChI

InChI=1S/C17H25FN2O2/c1-11(2)16(10-20-8-14(21)9-20)19(4)17(22)13-5-6-15(18)12(3)7-13/h5-7,11,14,16,21H,8-10H2,1-4H3/t16-/m1/s1

InChIKey

GAHPWXLXWUVMIV-MRXNPFEDSA-N

Chemical Structure

2D Structure

CAS: 1380100-86-6

CID: 57345449

Formula: C17H25FN2O2

MW: 308.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.4
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	308.19000621
Monoisotopic Mass	308.19000621
Topological Polar Surface Area	43.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	385
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes