ChemSpider 2D Image | N,N-Bis(2-cyanoethyl)-2-{[5-(1H-indol-3-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide | C25H23N7OS

N,N-Bis(2-cyanoethyl)-2-{[5-(1H-indol-3-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

  • Molecular FormulaC25H23N7OS
  • Average mass469.561 Da
  • Monoisotopic mass469.168488 Da
  • ChemSpider ID22255476

More details:

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

Acetamide, N,N-bis(2-cyanoethyl)-2-[[5-(1H-indol-3-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N,N-Bis(2-cyanethyl)-2-{[5-(1H-indol-3-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N,N-Bis(2-cyanoethyl)-2-{[5-(1H-indol-3-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N,N-Bis(2-cyanoéthyl)-2-{[5-(1H-indol-3-yl)-4-(2-méthylphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétamide [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: 818.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 448.6±37.1 °C
Index of Refraction: 1.684
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.47
ACD/KOC (pH 5.5): 1003.09
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.48
ACD/KOC (pH 7.4): 1003.16
Polar Surface Area: 140 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 360.7±7.0 cm3

Click to predict properties on the Chemicalize site


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