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509093-47-4

509093-47-4 structural image
Product Name: IRAK-1/4 INHIBITOR I
Formula: C20H21N5O4
Synonyms: 1-(2-(4-Morpholinyl)ethyl)-2-(3-nitrobenzoylamino)benzimidazole;IRAK-1/4 Inhibitor, N-(2-Morpholinylethyl)-2-(3-nitrobenzoylamido)-benzimidazole;N-(1-(2-morpholinoethyl)-1H-benzo[d]imidazol-2-yl)-3-nitrobenzamide, N-(2-Morpholinylethyl)-2-(3-nitrobenzoylamido)-benzimidazole;N-(2-Morpholinylethyl)-2-(3-nitrobenzoylamido)-benzimidazole
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 395.4 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 395.15935417 g/mol
Monoisotopic Mass 395.15935417 g/mol
Topological Polar Surface Area 105 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 580
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes