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860784-16-3,MFCD04124461
Catalog No.:AA00IW9K

860784-16-3 | methyl 2-{[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl}-3-nitrobenzoate

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IW9K
Chemical Name:
methyl 2-{[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl}-3-nitrobenzoate
CAS Number:
860784-16-3
Molecular Formula:
C21H25N3O4
Molecular Weight:
383.4409
MDL Number:
MFCD04124461
SMILES:
COC(=O)c1cccc(c1CN1CCN(CC1)c1c(C)cccc1C)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
534  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
5  
XLogP3:
3.8  

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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SDS
Tags:860784-16-3 Molecular Formula|860784-16-3 MDL|860784-16-3 SMILES|860784-16-3 methyl 2-{[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl}-3-nitrobenzoate