JAV

4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide

Created:	2018-08-28
Last modified:	2019-12-25

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1 entries where JAV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	18

2D diagram of JAV

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Chemical Component Summary
Name	4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide
Systematic Name (OpenEye OEToolkits)	2-fluoranyl-~{N}'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenyl-benzohydrazide
Formula	C₂₀ H₁₇ F N₂ O₄ S
Molecular Weight	400.423
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cc(ccc1)O)S(NNC(c2cc(cc(C)c2F)c3ccccc3)=O)(=O)=O
SMILES	CACTVS	3.385	Cc1cc(cc(C(=O)NN[S](=O)(=O)c2cccc(O)c2)c1F)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)O)c3ccccc3
Canonical SMILES	CACTVS	3.385	Cc1cc(cc(C(=O)NN[S](=O)(=O)c2cccc(O)c2)c1F)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)O)c3ccccc3
InChI	InChI	1.03	InChI=1S/C20H17FN2O4S/c1-13-10-15(14-6-3-2-4-7-14)11-18(19(13)21)20(25)22-23-28(26,27)17-9-5-8-16(24)12-17/h2-12,23-24H,1H3,(H,22,25)
InChIKey	InChI	1.03	KVJFJJXCBRSCDY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134581412

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