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160943-06-6
Catalog No.:AA00ATCF

160943-06-6 | Rolofylline metabolite M1-trans

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Technical Information
Catalog Number:
AA00ATCF
Chemical Name:
Rolofylline metabolite M1-trans
CAS Number:
160943-06-6
Molecular Formula:
C20H28N4O3
Molecular Weight:
372.4613
SMILES:
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC3CC(C4)C5O
Properties
Computed Properties
 
Complexity:
639  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
2  
XLogP3:
3.3  

Literature
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Additional Info:
SDS
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Tags:160943-06-6 Molecular Formula|160943-06-6 MDL|160943-06-6 SMILES|160943-06-6 Rolofylline metabolite M1-trans