ChemSpider 2D Image | 1-(3,4-Dimethoxyphenyl)-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimine | C18H21N7O4S

1-(3,4-Dimethoxyphenyl)-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimine

  • Molecular FormulaC18H21N7O4S
  • Average mass431.469 Da
  • Monoisotopic mass431.137573 Da
  • ChemSpider ID35254829

More details:

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

1-(3,4-Dimethoxyphenyl)-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimin [German] [ACD/IUPAC Name]
1-(3,4-Dimethoxyphenyl)-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimine [ACD/IUPAC Name]
1-(3,4-Diméthoxyphényl)-N-(3-{[(3,5-diméthyl-4-nitro-1H-pyrazol-1-yl)méthyl]sulfanyl}-5-méthyl-4H-1,2,4-triazol-4-yl)méthanimine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, N-[(3,4-dimethoxyphenyl)methylene]-3-[[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio]-5-methyl- [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: 632.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.5±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 113.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.85
ACD/KOC (pH 5.5): 828.70
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.88
ACD/KOC (pH 7.4): 828.98
Polar Surface Area: 150 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 305.6±7.0 cm3

Click to predict properties on the Chemicalize site


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