CGP-74514A hydrochloride

CAT: 0024-sc-300344ASize: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-300344ASize:25 mg

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

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CAS Number

1173021-98-1

Chemical Information

1H-Benzimidazole-6-carboxylic acid, 2-(4-(4-nitrophenyl)-2-thiazolyl)hydrazide, hydrobromide (1:1)

CAS Number	1173021-98-1
PubChem CID	71311862
IUPAC Name	N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carbohydrazide;hydrobromide
Molecular Formula	C17H13BrN6O3S
Molecular Weight	461.3
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	553

SMILES

C1=CC(=CC=C1C2=CSC(=N2)NNC(=O)C3=CC4=C(C=C3)N=CN4)[N+](=O)[O-].Br

InChI

InChI=1S/C17H12N6O3S.BrH/c24-16(11-3-6-13-14(7-11)19-9-18-13)21-22-17-20-15(8-27-17)10-1-4-12(5-2-10)23(25)26;/h1-9H,(H,18,19)(H,20,22)(H,21,24);1H

InChIKey

HVNYYJJWBWMGCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1173021-98-1

CID: 71311862

Formula: C17H13BrN6O3S

MW: 461.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	461.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	459.99532
Monoisotopic Mass	459.99532
Topological Polar Surface Area	157 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	553
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	2
Compound Is Canonicalized	Yes