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1256751-11-7,MFCD22380794
Catalog No.:AA009E6P

1256751-11-7 | Boceprevir-d9

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA009E6P
Chemical Name:
Boceprevir-d9
CAS Number:
1256751-11-7
Molecular Formula:
C27H36D9N5O5
Molecular Weight:
528.7322
MDL Number:
MFCD22380794
SMILES:
O=C(NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C
Properties
Computed Properties
 
Complexity:
959  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
9  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.1  

Literature
Quotation Request
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SDS
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Tags:1256751-11-7 Molecular Formula|1256751-11-7 MDL|1256751-11-7 SMILES|1256751-11-7 Boceprevir-d9
Catalog No.: AA009E6P
1256751-11-7,MFCD22380794
1256751-11-7 | Boceprevir-d9
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA009E6P
Chemical Name: Boceprevir-d9
CAS Number: 1256751-11-7
Molecular Formula: C27H36D9N5O5
Molecular Weight: 528.7322
MDL Number: MFCD22380794
SMILES: O=C(NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C
Properties
Complexity: 959  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 4  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 37  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 9  
Rotatable Bond Count: 10  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.1  
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