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306936-40-3,MFCD02180782
Catalog No.:AA0030UY

306936-40-3 | 2,5-Dimethyl-4-(N-(thiophen-2-ylmethyl)sulfamoyl)furan-3-carboxylic acid

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  • Technical Information
  • Properties
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0030UY
Chemical Name:
2,5-Dimethyl-4-(N-(thiophen-2-ylmethyl)sulfamoyl)furan-3-carboxylic acid
CAS Number:
306936-40-3
Molecular Formula:
C12H13NO5S2
Molecular Weight:
315.3653
MDL Number:
MFCD02180782
SMILES:
Cc1oc(c(c1S(=O)(=O)NCc1cccs1)C(=O)O)C
Properties
Computed Properties
 
Complexity:
447  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
1.9  

Literature

Title: Decoys for docking.

Journal: Journal of medicinal chemistry 20050602

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Tags:306936-40-3 Molecular Formula|306936-40-3 MDL|306936-40-3 SMILES|306936-40-3 2,5-Dimethyl-4-(N-(thiophen-2-ylmethyl)sulfamoyl)furan-3-carboxylic acid