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89334-47-4

89334-47-4 | Thiourea, N-(1H-benzimidazol-2-ylmethyl)-N'-(4-ethoxyphenyl)-

CAS No: 89334-47-4 Catalog No: AG003ZEU MDL No:

Product Description

Catalog Number:
AG003ZEU
Chemical Name:
Thiourea, N-(1H-benzimidazol-2-ylmethyl)-N'-(4-ethoxyphenyl)-
CAS Number:
89334-47-4
Molecular Formula:
C17H18N4OS
Molecular Weight:
326.4160
IUPAC Name:
1-(1H-benzimidazol-2-ylmethyl)-3-(4-ethoxyphenyl)thiourea
InChI:
InChI=1S/C17H18N4OS/c1-2-22-13-9-7-12(8-10-13)19-17(23)18-11-16-20-14-5-3-4-6-15(14)21-16/h3-10H,2,11H2,1H3,(H,20,21)(H2,18,19,23)
InChI Key:
ZUFCRMLDMSFDRM-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=S)NCc1nc2c([nH]1)cccc2

Properties

Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.12g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
326.418g/mol
Monoisotopic Mass:
326.12g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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