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1391048-08-0
Catalog No.:AA01CBCZ

1391048-08-0 | N-Des-(4,4-difluorocyclohexanecarboxy)-N-carbobenzyloxy-3-hydroxymethyl Maraviroc

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Technical Information
Catalog Number:
AA01CBCZ
Chemical Name:
N-Des-(4,4-difluorocyclohexanecarboxy)-N-carbobenzyloxy-3-hydroxymethyl Maraviroc
CAS Number:
1391048-08-0
Molecular Formula:
C30H39N5O3
Molecular Weight:
517.6624
SMILES:
CC(C)C1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)CO
Properties
Computed Properties
 
Complexity:
727  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
11  
Undefined Atom Stereocenter Count:
2  
XLogP3:
4  

Literature
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Tags:1391048-08-0 Molecular Formula|1391048-08-0 MDL|1391048-08-0 SMILES|1391048-08-0 N-Des-(4,4-difluorocyclohexanecarboxy)-N-carbobenzyloxy-3-hydroxymethyl Maraviroc