327072-92-4,MFCD02706751
Catalog No.:AA019GHD

327072-92-4 | 3-[(4-benzylpiperazin-1-yl)sulfonyl]benzoic acid

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Technical Information
Catalog Number:
AA019GHD
Chemical Name:
3-[(4-benzylpiperazin-1-yl)sulfonyl]benzoic acid
CAS Number:
327072-92-4
Molecular Formula:
C18H20N2O4S
Molecular Weight:
360.4274
MDL Number:
MFCD02706751
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
546  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.4  

Literature
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SDS
Tags:327072-92-4 Molecular Formula|327072-92-4 MDL|327072-92-4 SMILES|327072-92-4 3-[(4-benzylpiperazin-1-yl)sulfonyl]benzoic acid
Catalog No.: AA019GHD
327072-92-4,MFCD02706751
327072-92-4 | 3-[(4-benzylpiperazin-1-yl)sulfonyl]benzoic acid
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: AA019GHD
Chemical Name: 3-[(4-benzylpiperazin-1-yl)sulfonyl]benzoic acid
CAS Number: 327072-92-4
Molecular Formula: C18H20N2O4S
Molecular Weight: 360.4274
MDL Number: MFCD02706751
SMILES: OC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)Cc1ccccc1
Properties
Complexity: 546  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 25  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.4  
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