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Home Amines 42947-70-6
42947-70-6,MFCD30719893
Catalog No.:AA00C9B8

42947-70-6 | [2R-[2α(R*),4β]]-4-carboxy-α-[[[3-(2-Chloro-6-fluorophenyl)-5-Methyl-4-isoxazolyl]carbonyl]aMino]-5,5-diMethyl-2-thiazolidineacetic Acid

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Technical Information
Catalog Number:
AA00C9B8
Chemical Name:
[2R-[2α(R*),4β]]-4-carboxy-α-[[[3-(2-Chloro-6-fluorophenyl)-5-Methyl-4-isoxazolyl]carbonyl]aMino]-5,5-diMethyl-2-thiazolidineacetic Acid
CAS Number:
42947-70-6
Molecular Formula:
C19H19ClFN3O6S
Molecular Weight:
471.8871
MDL Number:
MFCD30719893
SMILES:
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(C3NC(C(S3)(C)C)C(=O)O)C(=O)O
Properties
Computed Properties
 
Complexity:
731  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
6  
XLogP3:
0.2  

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SDS
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Tags:42947-70-6 Molecular Formula|42947-70-6 MDL|42947-70-6 SMILES|42947-70-6 [2R-[2α(R*),4β]]-4-carboxy-α-[[[3-(2-Chloro-6-fluorophenyl)-5-Methyl-4-isoxazolyl]carbonyl]aMino]-5,5-diMethyl-2-thiazolidineacetic Acid