Adenosine antagonist-1 5mg

CAT: 0628-A20383-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A20383-5Size:5 mg

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CAS Number

431040-19-6

Chemical Information

Adenosine antagonist-1

CAS Number	431040-19-6
PubChem CID	10291948
IUPAC Name	3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile
Molecular Formula	C18H13N7S
Molecular Weight	359.4
XLogP	2.9
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	523

SMILES

CC1=NC=CN1C2=C(N=C(S2)NC3=NC=CN=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C18H13N7S/c1-12-21-7-8-25(12)17-16(14-4-2-3-13(9-14)10-19)24-18(26-17)23-15-11-20-5-6-22-15/h2-9,11H,1H3,(H,22,23,24)

InChIKey

YNGFNKUXMJZNCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 431040-19-6

CID: 10291948

Formula: C18H13N7S

MW: 359.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.4
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	359.09531462
Monoisotopic Mass	359.09531462
Topological Polar Surface Area	121 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	523
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
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HY-179248	Adenosine receptor antagonist 7
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T211993-01	Adenosine receptor antagonist 6
T62611-01	Adenosine receptor antagonist 2
T60872-01	Adenosine receptor antagonist 3
T21620-01	Adenosine receptor antagonist 4
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