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852695-22-8,MFCD03168919
Catalog No.:AA019OQV

852695-22-8 | 2-[(carbamoylmethyl)sulfanyl]pyridine-3-carboxylic acid

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  • Technical Information
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Technical Information
Catalog Number:
AA019OQV
Chemical Name:
2-[(carbamoylmethyl)sulfanyl]pyridine-3-carboxylic acid
CAS Number:
852695-22-8
Molecular Formula:
C8H8N2O3S
Molecular Weight:
212.2257
MDL Number:
MFCD03168919
SMILES:
NC(=O)CSc1ncccc1C(=O)O
Properties
Computed Properties
 
Complexity:
235  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
0.2  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:852695-22-8 Molecular Formula|852695-22-8 MDL|852695-22-8 SMILES|852695-22-8 2-[(carbamoylmethyl)sulfanyl]pyridine-3-carboxylic acid