ChemSpider 2D Image | 4-(5-Amino-4-cyano-1H-pyrazol-1-yl)-N-{[4'-(1H-pyrazol-1-ylmethyl)-2-biphenylyl]methyl}benzamide | C28H23N7O

4-(5-Amino-4-cyano-1H-pyrazol-1-yl)-N-{[4'-(1H-pyrazol-1-ylmethyl)-2-biphenylyl]methyl}benzamide

  • Molecular FormulaC28H23N7O
  • Average mass473.529 Da
  • Monoisotopic mass473.196411 Da
  • ChemSpider ID31840672

More details:

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

4-(5-Amino-4-cyan-1H-pyrazol-1-yl)-N-{[4'-(1H-pyrazol-1-ylmethyl)-2-biphenylyl]methyl}benzamid [German] [ACD/IUPAC Name]
4-(5-Amino-4-cyano-1H-pyrazol-1-yl)-N-{[4'-(1H-pyrazol-1-ylmethyl)-2-biphenylyl]methyl}benzamide [ACD/IUPAC Name]
4-(5-Amino-4-cyano-1H-pyrazol-1-yl)-N-{[4'-(1H-pyrazol-1-ylméthyl)-2-biphénylyl]méthyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-(5-amino-4-cyano-1H-pyrazol-1-yl)-N-[[4'-(1H-pyrazol-1-ylmethyl)[1,1'-biphenyl]-2-yl]methyl]- [ACD/Index 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: 803.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 439.9±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 140.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.07
ACD/KOC (pH 5.5): 1432.23
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.12
ACD/KOC (pH 7.4): 1432.67
Polar Surface Area: 115 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 366.8±7.0 cm3

Click to predict properties on the Chemicalize site


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