Home Nitros 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one

5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one

CAS No.:
4791-27-9
Catalog Number:
AG006YF6
Molecular Formula:
C21H17F3N4O4S
Molecular Weight:
478.4443
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Product Description
Catalog Number:
AG006YF6
Chemical Name:
5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one
CAS Number:
4791-27-9
Molecular Formula:
C21H17F3N4O4S
Molecular Weight:
478.4443
MDL Number:
MFCD03948988
IUPAC Name:
N-(tert-butylcarbamoyl)-2-chloroacetamide
InChI:
InChI=1S/C7H13ClN2O2/c1-7(2,3)10-6(12)9-5(11)4-8/h4H2,1-3H3,(H2,9,10,11,12)
InChI Key:
UUIODKLJRGPXGV-UHFFFAOYSA-N
SMILES:
O=C1N=C(SC1=Cc1ccc(c(c1)[N+](=O)[O-])O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.067g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
192.643g/mol
Monoisotopic Mass:
192.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties