ChemSpider 2D Image | 4-{5-[(Z)-2-{4-(2-Chlorophenyl)-5-[5-(methylsulfonyl)-2-pyridinyl]-4H-1,2,4-triazol-3-yl}vinyl]-1,3,4-oxadiazol-2-yl}benzonitrile | C25H16ClN7O3S

4-{5-[(Z)-2-{4-(2-Chlorophenyl)-5-[5-(methylsulfonyl)-2-pyridinyl]-4H-1,2,4-triazol-3-yl}vinyl]-1,3,4-oxadiazol-2-yl}benzonitrile

  • Molecular FormulaC25H16ClN7O3S
  • Average mass529.958 Da
  • Monoisotopic mass529.072388 Da
  • ChemSpider ID58184231

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{5-[(Z)-2-{4-(2-Chlorophenyl)-5-[5-(methylsulfonyl)-2-pyridinyl]-4H-1,2,4-triazol-3-yl}vinyl]-1,3,4-oxadiazol-2-yl}benzonitrile [ACD/IUPAC Name]
4-{5-[(Z)-2-{4-(2-Chlorophényl)-5-[5-(méthylsulfonyl)-2-pyridinyl]-4H-1,2,4-triazol-3-yl}vinyl]-1,3,4-oxadiazol-2-yl}benzonitrile [French] [ACD/IUPAC Name]
4-{5-[(Z)-2-{4-(2-Chlorphenyl)-5-[5-(methylsulfonyl)-2-pyridinyl]-4H-1,2,4-triazol-3-yl}vinyl]-1,3,4-oxadiazol-2-yl}benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[5-[(Z)-2-[4-(2-chlorophenyl)-5-[5-(methylsulfonyl)-2-pyridinyl]-4H-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 817.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 448.1±37.1 °C
Index of Refraction: 1.722
Molar Refractivity: 141.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.92
ACD/KOC (pH 5.5): 1303.94
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.92
ACD/KOC (pH 7.4): 1303.94
Polar Surface Area: 149 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 62.5±7.0 dyne/cm
Molar Volume: 358.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement