ChemSpider 2D Image | Methyl 2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-{[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate | C29H27N5O5S

Methyl 2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-{[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate

  • Molecular FormulaC29H27N5O5S
  • Average mass557.620 Da
  • Monoisotopic mass557.173279 Da
  • ChemSpider ID11036021

More details:

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

2-(1,3-Dihydro-2H-benzimidazol-2-ylidène)-4-{[4-(4-éthoxyphényl)-5-(3-méthoxyphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-3-oxo-, methyl ester [ACD/Index Name]
Methyl 2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-{[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate [ACD/IUPAC Name]
Methyl-2-(1,3-dihydro-2H-benzimidazol-2-yliden)-4-{[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoat [German] [ACD/IUPAC 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: 726.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.4±35.7 °C
Index of Refraction: 1.664
Molar Refractivity: 152.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1338.86
ACD/KOC (pH 5.5): 6021.61
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1338.91
ACD/KOC (pH 7.4): 6021.83
Polar Surface Area: 142 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 411.6±7.0 cm3

Click to predict properties on the Chemicalize site


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