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113589-74-5

113589-74-5 | Urea, N-(4-butoxyphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-

CAS No: 113589-74-5 Catalog No: AG00092R MDL No:

Product Description

Catalog Number:
AG00092R
Chemical Name:
Urea, N-(4-butoxyphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-
CAS Number:
113589-74-5
Molecular Formula:
C14H18N4O2S
Molecular Weight:
306.3833
IUPAC Name:
1-(4-butoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
InChI:
InChI=1S/C14H18N4O2S/c1-3-4-9-20-12-7-5-11(6-8-12)15-13(19)16-14-18-17-10(2)21-14/h5-8H,3-4,9H2,1-2H3,(H2,15,16,18,19)
InChI Key:
WYTFJWMVVMVXHS-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)NC(=O)Nc1nnc(s1)C
NSC Number:
326422

Properties

Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.115g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
306.384g/mol
Monoisotopic Mass:
306.115g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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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