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Search term: JWIQQUPAURQKRX (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Ethyl 4-[(5-nitro-1,3-thiazol-2-yl)([1,2,4]triazolo[4,3-a]pyrazin-5-yl)amino]-3-oxobutanoate | C14H13N7O5S

Ethyl 4-[(5-nitro-1,3-thiazol-2-yl)([1,2,4]triazolo[4,3-a]pyrazin-5-yl)amino]-3-oxobutanoate

  • Molecular FormulaC14H13N7O5S
  • Average mass391.362 Da
  • Monoisotopic mass391.069885 Da
  • ChemSpider ID82781888

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-[(5-Nitro-1,3-thiazol-2-yl)([1,2,4]triazolo[4,3-a]pyrazin-5-yl)amino]-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(5-nitro-2-thiazolyl)-1,2,4-triazolo[4,3-a]pyrazin-5-ylamino]-3-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-[(5-nitro-1,3-thiazol-2-yl)([1,2,4]triazolo[4,3-a]pyrazin-5-yl)amino]-3-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-[(5-nitro-1,3-thiazol-2-yl)([1,2,4]triazolo[4,3-a]pyrazin-5-yl)amino]-3-oxobutanoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.761
Molar Refractivity: 95.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.44
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 48.13
Polar Surface Area: 177 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 79.7±7.0 dyne/cm
Molar Volume: 232.9±7.0 cm3

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