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Home  > RAcemic-(3aS,7R,8aS)-tert-butyl hexahydro-3a,7-epoxyisothiazolo[4,5-c]azepine-5(4H)-carboxylate 1,1-dioxide

AI16188

1250995-87-9 | RAcemic-(3aS,7R,8aS)-tert-butyl hexahydro-3a,7-epoxyisothiazolo[4,5-c]azepine-5(4H)-carboxylate 1,1-dioxide

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Description
Catalog Number: AI16188
Chemical Name: RAcemic-(3aS,7R,8aS)-tert-butyl hexahydro-3a,7-epoxyisothiazolo[4,5-c]azepine-5(4H)-carboxylate 1,1-dioxide
CAS Number: 1250995-87-9
Molecular Formula: C12H20N2O5S
Molecular Weight: 304.3626
MDL Number: MFCD28390413
SMILES: O=C(N1C[C@H]2C[C@H]3[C@@](C1)(O2)CNS3(=O)=O)OC(C)(C)C

 

Computed Properties
Complexity: 535  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 3  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 2  
XLogP3: -0.2  

 

 

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