ZHF

N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide

Created:	2023-06-23
Last modified:	2023-08-09

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1 entries where ZHF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	1
Bond Count	59
Aromatic Bond Count	16

2D diagram of ZHF

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Chemical Component Summary
Name	N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(2~{S})-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)-1-oxidanylidene-pentan-2-yl]-3-(imidazol-1-ylmethyl)benzamide
Formula	C₂₃ H₂₆ N₄ O₂ S
Molecular Weight	422.543
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCCC(NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)N1CCc2sccc2C1
SMILES	CACTVS	3.385	CCC[CH](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)N3CCc4sccc4C3
SMILES	OpenEye OEToolkits	2.0.7	CCCC(C(=O)N1CCc2c(ccs2)C1)NC(=O)c3cccc(c3)Cn4ccnc4
Canonical SMILES	CACTVS	3.385	CCC[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)N3CCc4sccc4C3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC[C@@H](C(=O)N1CCc2c(ccs2)C1)NC(=O)c3cccc(c3)Cn4ccnc4
InChI	InChI	1.06	InChI=1S/C23H26N4O2S/c1-2-4-20(23(29)27-10-7-21-19(15-27)8-12-30-21)25-22(28)18-6-3-5-17(13-18)14-26-11-9-24-16-26/h3,5-6,8-9,11-13,16,20H,2,4,7,10,14-15H2,1H3,(H,25,28)/t20-/m0/s1
InChIKey	InChI	1.06	DUKKJDZKLSMCLK-FQEVSTJZSA-N

Related Resource References

Resource Name	Reference
PubChem	168433904

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