ChemSpider 2D Image | 2-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N'-[(2,5-dimethylphenoxy)acetyl]acetohydrazide | C20H27N9O3S

2-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N'-[(2,5-dimethylphenoxy)acetyl]acetohydrazide

  • Molecular FormulaC20H27N9O3S
  • Average mass473.552 Da
  • Monoisotopic mass473.195770 Da
  • ChemSpider ID33495010

More details:

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

2-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N'-[(2,5-dimethylphenoxy)acetyl]acetohydrazid [German] [ACD/IUPAC Name]
2-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N'-[(2,5-dimethylphenoxy)acetyl]acetohydrazide [ACD/IUPAC Name]
2-{[5,7-Bis(éthylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N'-[2-(2,5-diméthylphénoxy)acétyl]acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5,7-bis(ethylamino)-1,2,4-triazolo[4,3-a][1,3,5]triazin-3-yl]thio]-, 2-[2-(2,5-dimethylphenoxy)acetyl]hydrazide [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.23
ACD/KOC (pH 5.5): 80.47
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.21
ACD/KOC (pH 7.4): 80.01
Polar Surface Area: 173 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 329.2±7.0 cm3

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