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939390-99-5,MFCD30474716
Catalog No.:AA01E5U7

939390-99-5 | BMS795311

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:
AA01E5U7
Chemical Name:
BMS795311
CAS Number:
939390-99-5
Molecular Formula:
C33H23F10NO3
Molecular Weight:
671.5247
MDL Number:
MFCD30474716
SMILES:
Fc1cc(cc(c1)[C@@](c1ccc(c(c1)OC1CC1)F)(NC(=O)c1ccc(c(c1)C(F)(F)F)F)Cc1ccccc1)OC(C(F)F)(F)F
Properties
Computed Properties
 
Complexity:
1040  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
11  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
9.5  

Literature

Title: Jennifer XQ, et, al. Triphenylethanamine Derivatives as Cholesteryl Ester Transfer Protein Inhibitors: Discovery of N-[(1R)-1-(3-Cyclopropoxy-4-fluorophenyl)-1--fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl-2-phenylethyl-4-fluoro-3-(trifluoromethyl)benzamide (BMS-795311). J Med Chem. 2015 Nov 25; 58(22): 9010-26.

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SDS
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Tags:939390-99-5 Molecular Formula|939390-99-5 MDL|939390-99-5 SMILES|939390-99-5 BMS795311
Catalog No.: AA01E5U7
939390-99-5,MFCD30474716
939390-99-5 | BMS795311
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: AA01E5U7
Chemical Name: BMS795311
CAS Number: 939390-99-5
Molecular Formula: C33H23F10NO3
Molecular Weight: 671.5247
MDL Number: MFCD30474716
SMILES: Fc1cc(cc(c1)[C@@](c1ccc(c(c1)OC1CC1)F)(NC(=O)c1ccc(c(c1)C(F)(F)F)F)Cc1ccccc1)OC(C(F)F)(F)F
Properties
Complexity: 1040  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 47  
Hydrogen Bond Acceptor Count: 13  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 11  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 9.5  
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