Home Sulfos Pyrazino[2,1-c][1,4]oxazin-4(3H)-one, hexahydro-8-[[4-(trifluoromethyl)phenyl]sulfonyl]-, (9aR)-

Pyrazino[2,1-c][1,4]oxazin-4(3H)-one, hexahydro-8-[[4-(trifluoromethyl)phenyl]sulfonyl]-, (9aR)-

CAS No.:
1464137-25-4
Catalog Number:
AG001E00
Molecular Formula:
C14H15F3N2O4S
Molecular Weight:
364.3401
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Product Description
Catalog Number:
AG001E00
Chemical Name:
Pyrazino[2,1-c][1,4]oxazin-4(3H)-one, hexahydro-8-[[4-(trifluoromethyl)phenyl]sulfonyl]-, (9aR)-
CAS Number:
1464137-25-4
Molecular Formula:
C14H15F3N2O4S
Molecular Weight:
364.3401
MDL Number:
MFCD26406726
IUPAC Name:
(9aR)-8-[4-(trifluoromethyl)phenyl]sulfonyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
InChI:
InChI=1S/C14H15F3N2O4S/c15-14(16,17)10-1-3-12(4-2-10)24(21,22)18-5-6-19-11(7-18)8-23-9-13(19)20/h1-4,11H,5-9H2/t11-/m1/s1
InChI Key:
QXBCCNAVBIVTBX-LLVKDONJSA-N
SMILES:
O=C1COC[C@@H]2N1CCN(C2)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
582  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
364.07g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.339g/mol
Monoisotopic Mass:
364.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties