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Home  > Octahydropyrazino[2,3-d]azepine-1,7-dicarboxylic acid 7-benzyl ester 1-tert-butyl ester

AE79639

1251004-30-4 | Octahydropyrazino[2,3-d]azepine-1,7-dicarboxylic acid 7-benzyl ester 1-tert-butyl ester

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Description
Catalog Number: AE79639
Chemical Name: Octahydropyrazino[2,3-d]azepine-1,7-dicarboxylic acid 7-benzyl ester 1-tert-butyl ester
CAS Number: 1251004-30-4
Molecular Formula: C21H31N3O4
Molecular Weight: 389.4885
MDL Number: MFCD14581300
SMILES: O=C(N1CC[C@H]2[C@H](CC1)N(CCN2)C(=O)OC(C)(C)C)OCc1ccccc1

 

Computed Properties
Complexity: 542  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 2  
Heavy Atom Count: 28  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 5  
XLogP3: 2.5  

 

 

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