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866138-36-5,MFCD04126177
Catalog No.:AA00IYYP

866138-36-5 | methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate

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  • Technical Information
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Technical Information
Catalog Number:
AA00IYYP
Chemical Name:
methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate
CAS Number:
866138-36-5
Molecular Formula:
C14H17N3O3
Molecular Weight:
275.3031
MDL Number:
MFCD04126177
SMILES:
COC(=O)C(n1nc(n(c1=O)c1ccc(cc1)C)C)C
Properties
Computed Properties
 
Complexity:
427  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.8  

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:866138-36-5 Molecular Formula|866138-36-5 MDL|866138-36-5 SMILES|866138-36-5 methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate