 Home > Encyclopedia > 3-(4-Chlorophenyl)-4-[[[(4-chlorophenyl)amino]carbonyl]hydroxyamino]-5,5-dimethyl-2-oxo-1-imidazolidineaceticacid2-[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide

3-(4-Chlorophenyl)-4-[[[(4-chlorophenyl)amino]carbonyl]hydroxyamino]-5,5-dimethyl-2-oxo-1-imidazolidineaceticacid2-[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide

3-(4-Chlorophenyl)-4-[[[(4-chlorophenyl)amino]carbonyl]hydroxyamino]-5,5-dimethyl-2-oxo-1-imidazolidineaceticacid2-[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide structure

CAS No:
412960-54-4
Formula:
C27H25Cl2N7O7
Chemical Name:
3-(4-Chlorophenyl)-4-[[[(4-chlorophenyl)amino]carbonyl]hydroxyamino]-5,5-dimethyl-2-oxo-1-imidazolidineaceticacid2-[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide
Synonyms:
1-(4-chlorophenyl)-3-(3-(4-chlorophenyl)-5,5-dimethyl-1-(3-(5-nitrofuran-2-yl)allyldienehydrazinocarbonylmethyl)-2-oxoimidazolidin-4-yl)-1-hydroxyurea;eeyarestatin I;ERAD inhibitor 1;p97 inhibitor 1;Eeyarestatin I -E isomer;Probes1_000502;Probes2_000077;CHEMBL3220938;SCHEMBL13028090
Categories:
Organic Chemistry > Hydrazine or Hydroxylamine Derivatives

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3-(4-Chlorophenyl)-4-[[[(4-chlorophenyl)amino]carbonyl]hydroxyamino]-5,5-dimethyl-2-oxo-1-imidazolidineaceticacid2-[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide Basic Attributes

Molecular Weight：

630

Exact Mass：

629.119252

NSC Number：

748695

DSSTox ID：

DTXSID20849579

Characteristics

PSA：

177

XLogP3：

4.69070

Density：

1.49±0.1 g/cm3(Predicted)

Water Solubility：

DMSO: soluble 5mg/mL

Storage Conditions：

Desiccate at +4°C

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

1-(4-chlorophenyl)-3-(3-(4-chlorophenyl)-5,5-dimethyl-1-(3-(5-nitrofuran-2-yl)allyldienehydrazinocarbonylmethyl)-2-oxoimidazolidin-4-yl)-1-hydroxyurea

Computed Properties

Molecular Weight:630.4
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:629.1192516
Monoisotopic Mass:629.1192516
Topological Polar Surface Area:177
Heavy Atom Count:43
Complexity:1090
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-Chlorophenyl)-4-[[[(4-chlorophenyl)amino]carbonyl]hydroxyamino]-5,5-dimethyl-2-oxo-1-imidazolidineaceticacid2-[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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3-(4-Chlorophenyl)-4-[[[(4-chlorophenyl)amino]carbonyl]hydroxyamino]-5,5-dimethyl-2-oxo-1-imidazolidineaceticacid2-[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide

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