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1251004-30-4,MFCD14581300
Catalog No.:AA00AA63

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

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Technical Information
Catalog Number:
AA00AA63
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
Properties
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  

Literature
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SDS
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Tags:1251004-30-4 Molecular Formula|1251004-30-4 MDL|1251004-30-4 SMILES|1251004-30-4 Octahydropyrazino[2,3-d]azepine-1,7-dicarboxylic acid 7-benzyl ester 1-tert-butyl ester