ChemSpider 2D Image | N-Benzyl-2-{5-bromo-2-ethoxy-4-[(Z)-({[3-phenyl-6-(2-thienyl)[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenoxy}acetamide | C35H28BrN5O5S

N-Benzyl-2-{5-bromo-2-ethoxy-4-[(Z)-({[3-phenyl-6-(2-thienyl)[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenoxy}acetamide

  • Molecular FormulaC35H28BrN5O5S
  • Average mass710.596 Da
  • Monoisotopic mass709.099426 Da
  • ChemSpider ID101403219

  • Double-bond stereo - Double-bond stereo

More details:

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

Isoxazolo[5,4-b]pyridine-4-carboxylic acid, 3-phenyl-6-(2-thienyl)-, 2-[(1Z)-[2-bromo-5-ethoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]methylene]hydrazide [ACD/Index Name]
N-Benzyl-2-{5-brom-2-ethoxy-4-[(Z)-({[3-phenyl-6-(2-thienyl)[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenoxy}acetamid [German] [ACD/IUPAC Name]
N-Benzyl-2-{5-bromo-2-ethoxy-4-[(Z)-({[3-phenyl-6-(2-thienyl)[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenoxy}acetamide [ACD/IUPAC Name]
N-Benzyl-2-{5-bromo-2-éthoxy-4-[(Z)-({[3-phényl-6-(2-thiényl)[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}hydrazono)méthyl]phénoxy}acétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 184.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11292.54
ACD/KOC (pH 5.5): 27703.43
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10990.48
ACD/KOC (pH 7.4): 26962.40
Polar Surface Area: 156 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 487.4±7.0 cm3

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