ChemSpider 2D Image | 3-Nitro-N-{3-[(E)-2-(2-pyridinyl)vinyl]phenyl}-4-(1H-1,2,4-triazol-1-yl)benzamide | C22H16N6O3

3-Nitro-N-{3-[(E)-2-(2-pyridinyl)vinyl]phenyl}-4-(1H-1,2,4-triazol-1-yl)benzamide

  • Molecular FormulaC22H16N6O3
  • Average mass412.401 Da
  • Monoisotopic mass412.128387 Da
  • ChemSpider ID22843403

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Nitro-N-{3-[(E)-2-(2-pyridinyl)vinyl]phenyl}-4-(1H-1,2,4-triazol-1-yl)benzamid [German] [ACD/IUPAC Name]
3-Nitro-N-{3-[(E)-2-(2-pyridinyl)vinyl]phenyl}-4-(1H-1,2,4-triazol-1-yl)benzamide [ACD/IUPAC Name]
3-Nitro-N-{3-[(E)-2-(2-pyridinyl)vinyl]phényl}-4-(1H-1,2,4-triazol-1-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-nitro-N-[3-[(E)-2-(2-pyridinyl)ethenyl]phenyl]-4-(1H-1,2,4-triazol-1-yl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 77.60
ACD/KOC (pH 5.5): 757.18
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.58
ACD/KOC (pH 7.4): 854.66
Polar Surface Area: 119 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 304.7±7.0 cm3

Click to predict properties on the Chemicalize site


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