ChemSpider 2D Image | N,N-Diethyl-4-{(E)-[(3-{[(6-methyl-1H-benzimidazol-2-yl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)hydrazono]methyl}aniline | C22H26N8S

N,N-Diethyl-4-{(E)-[(3-{[(6-methyl-1H-benzimidazol-2-yl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)hydrazono]methyl}aniline

  • Molecular FormulaC22H26N8S
  • Average mass434.560 Da
  • Monoisotopic mass434.200104 Da
  • ChemSpider ID62523052

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzaldehyde, 4-(diethylamino)-, 2-[3-[[(6-methyl-1H-benzimidazol-2-yl)methyl]thio]-1H-1,2,4-triazol-5-yl]hydrazone [ACD/Index Name]
N,N-Diethyl-4-{(E)-[(3-{[(6-methyl-1H-benzimidazol-2-yl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)hydrazono]methyl}anilin [German] [ACD/IUPAC Name]
N,N-Diethyl-4-{(E)-[(3-{[(6-methyl-1H-benzimidazol-2-yl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)hydrazono]methyl}aniline [ACD/IUPAC Name]
N,N-Diéthyl-4-{(E)-[(3-{[(6-méthyl-1H-benzimidazol-2-yl)méthyl]sulfanyl}-1H-1,2,4-triazol-5-yl)hydrazono]méthyl}aniline [French] [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: 722.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.5±35.7 °C
Index of Refraction: 1.697
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2182.07
ACD/KOC (pH 5.5): 6960.70
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4414.29
ACD/KOC (pH 7.4): 14081.34
Polar Surface Area: 123 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 328.1±7.0 cm3

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