ChemSpider 2D Image | 2-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(3-ethoxy-5-nitro-4-propoxyphenyl)methylene]acetohydrazide | C17H20N6O7S

2-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(3-ethoxy-5-nitro-4-propoxyphenyl)methylene]acetohydrazide

  • Molecular FormulaC17H20N6O7S
  • Average mass452.442 Da
  • Monoisotopic mass452.111420 Da
  • ChemSpider ID32108087

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(3-ethoxy-5-nitro-4-propoxyphenyl)methylen]acetohydrazid [German] [ACD/IUPAC Name]
2-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(3-ethoxy-5-nitro-4-propoxyphenyl)methylene]acetohydrazide [ACD/IUPAC Name]
2-[(3,5-Dioxo-2,3,4,5-tétrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(3-éthoxy-5-nitro-4-propoxyphényl)méthylène]acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)thio]-, 2-[(1E)-(3-ethoxy-5-nitro-4-propoxyphenyl)methylene]hydrazide [ACD/Index 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: 1.663
Molar Refractivity: 109.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 17.64
ACD/KOC (pH 5.5): 255.34
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 18.53
Polar Surface Area: 202 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 295.5±7.0 cm3

Click to predict properties on the Chemicalize site


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