WFG

6-[(2S)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one

Created:	2013-08-07
Last modified:	2013-08-21

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1 entries where WFG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	42
Aromatic Bond Count	12

2D diagram of WFG

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Chemical Component Summary
Name	6-[(2S)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one
Systematic Name (OpenEye OEToolkits)	6-[(2S)-4-(4-fluorophenyl)-2-methyl-5-oxidanylidene-2H-furan-3-yl]-4H-1,4-benzoxazin-3-one
Formula	C₁₉ H₁₄ F N O₄
Molecular Weight	339.317
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc4ccc(C=3C(=O)OC(C=3c2cc1c(OCC(=O)N1)cc2)C)cc4
SMILES	CACTVS	3.385	C[CH]1OC(=O)C(=C1c2ccc3OCC(=O)Nc3c2)c4ccc(F)cc4
SMILES	OpenEye OEToolkits	1.7.6	CC1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4
Canonical SMILES	CACTVS	3.385	C[C@@H]1OC(=O)C(=C1c2ccc3OCC(=O)Nc3c2)c4ccc(F)cc4
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4
InChI	InChI	1.03	InChI=1S/C19H14FNO4/c1-10-17(12-4-7-15-14(8-12)21-16(22)9-24-15)18(19(23)25-10)11-2-5-13(20)6-3-11/h2-8,10H,9H2,1H3,(H,21,22)/t10-/m0/s1
InChIKey	InChI	1.03	FLUKKJOWQPEDIT-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	71660626

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