ChemSpider 2D Image | 2-{2-Ethoxy-5-[(4-ethylpiperazin-4-ium-1-yl)sulfonyl]phenyl}-5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-6-ium | C23H34N6O4S

2-{2-Ethoxy-5-[(4-ethylpiperazin-4-ium-1-yl)sulfonyl]phenyl}-5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-6-ium

  • Molecular FormulaC23H34N6O4S
  • Average mass490.618 Da
  • Monoisotopic mass490.235138 Da
  • ChemSpider ID21240393

  • Charge - Charge

More details:

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

2-{2-Ethoxy-5-[(4-ethylpiperazin-4-ium-1-yl)sulfonyl]phenyl}-5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-6-ium [ACD/IUPAC Name]
2-{2-Ethoxy-5-[(4-ethylpiperazin-4-ium-1-yl)sulfonyl]phenyl}-5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-6-ium [German] [ACD/IUPAC Name]
2-{2-Éthoxy-5-[(4-éthylpipérazin-4-ium-1-yl)sulfonyl]phényl}-5-méthyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-6-ium [French] [ACD/IUPAC Name]
Imidazo[5,1-f][1,2,4]triazin-4(1H)-one, 2-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-5-methyl-7-propyl-, conjugate diacid [ACD/Index Name]

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

Density:
Boiling Point: 692.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.5±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.70
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 15.41
ACD/KOC (pH 7.4): 217.25
Polar Surface Area: 120 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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