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1214797-41-7,MFCD00954952
Catalog No.:AA00IWR8

1214797-41-7 | 4-(4-chlorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4-oxobutanoic acid

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Technical Information
Catalog Number:
AA00IWR8
Chemical Name:
4-(4-chlorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4-oxobutanoic acid
CAS Number:
1214797-41-7
Molecular Formula:
C16H18ClN3O3
Molecular Weight:
335.7854
MDL Number:
MFCD00954952
SMILES:
OC(=O)C(CC(=O)c1ccc(cc1)Cl)NCCCn1cncc1
Properties
Computed Properties
 
Complexity:
400  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.8  

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SDS
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Tags:1214797-41-7 Molecular Formula|1214797-41-7 MDL|1214797-41-7 SMILES|1214797-41-7 4-(4-chlorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4-oxobutanoic acid