ChemSpider 2D Image | 2-Bromo-N-[4-(4-pyridinylmethyl)phenyl]-5-(4H-1,2,4-triazol-4-yl)benzamide | C21H16BrN5O

2-Bromo-N-[4-(4-pyridinylmethyl)phenyl]-5-(4H-1,2,4-triazol-4-yl)benzamide

  • Molecular FormulaC21H16BrN5O
  • Average mass434.289 Da
  • Monoisotopic mass433.053802 Da
  • ChemSpider ID21795872

More details:

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

2-Brom-N-[4-(4-pyridinylmethyl)phenyl]-5-(4H-1,2,4-triazol-4-yl)benzamid [German] [ACD/IUPAC Name]
2-Bromo-N-[4-(4-pyridinylmethyl)phenyl]-5-(4H-1,2,4-triazol-4-yl)benzamide [ACD/IUPAC Name]
2-Bromo-N-[4-(4-pyridinylméthyl)phényl]-5-(4H-1,2,4-triazol-4-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-bromo-N-[4-(4-pyridinylmethyl)phenyl]-5-(4H-1,2,4-triazol-4-yl)- [ACD/Index Name]
2-bromo-N-{4-[(pyridin-4-yl)methyl]phenyl}-5-(4H-1,2,4-triazol-4-yl)benzamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 38.40
ACD/KOC (pH 5.5): 348.02
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.02
ACD/KOC (pH 7.4): 1006.18
Polar Surface Area: 73 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 295.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement