ChemSpider 2D Image | Ethyl 4-{3-[3-(4-sec-butoxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}-1-piperazinecarboxylate | C24H33N5O6

Ethyl 4-{3-[3-(4-sec-butoxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}-1-piperazinecarboxylate

  • Molecular FormulaC24H33N5O6
  • Average mass487.549 Da
  • Monoisotopic mass487.243073 Da
  • ChemSpider ID22727696

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[2,5-dihydro-3-[3-methoxy-4-(1-methylpropoxy)phenyl]-5-oxo-1,2,4-triazin-6-yl]-1-oxopropyl]-, ethyl ester [ACD/Index Name]
4-{3-[3-(4-sec-Butoxy-3-méthoxyphényl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{3-[3-(4-sec-butoxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-[3-(4-sec-butoxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 640.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 341.1±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 128.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.58
ACD/KOC (pH 5.5): 270.52
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 13.68
ACD/KOC (pH 7.4): 210.56
Polar Surface Area: 122 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 376.5±7.0 cm3

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