ChemSpider 2D Image | 2-Propyl-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-4-[2-(trifluoroacetyl)-1H-pyrrol-1-yl]-1H-imidazole-5-carbonitrile | C27H21F3N8O

2-Propyl-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-4-[2-(trifluoroacetyl)-1H-pyrrol-1-yl]-1H-imidazole-5-carbonitrile

  • Molecular FormulaC27H21F3N8O
  • Average mass530.504 Da
  • Monoisotopic mass530.179016 Da
  • ChemSpider ID23163682

More details:

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

1H-Imidazole-5-carbonitrile, 2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4-[2-(2,2,2-trifluoroacetyl)-1H-pyrrol-1-yl]- [ACD/Index Name]
2-Propyl-1-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-4-[2-(2,2,2-trifluoroacétyl)-1H-pyrrol-1-yl]-1H-imidazole-5-carbonitrile [French] [ACD/IUPAC Name]
2-Propyl-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-4-[2-(trifluoracetyl)-1H-pyrrol-1-yl]-1H-imidazol-5-carbonitril [German] [ACD/IUPAC Name]
2-Propyl-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-4-[2-(trifluoroacetyl)-1H-pyrrol-1-yl]-1H-imidazole-5-carbonitrile [ACD/IUPAC Name]
2-propyl-1-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-4-[2-(trifluoroacetyl)-1H-pyrrol-1-yl]-1H-imidazole-5-carbonitrile
2-Propyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-5-[2-(2,2,2-trifluoro-acetyl)-pyrrol-1-yl]-3H-imidazole-4-carbonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.4±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 41.35
ACD/KOC (pH 5.5): 226.55
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 7.14
ACD/KOC (pH 7.4): 39.15
Polar Surface Area: 118 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 376.3±7.0 cm3

Click to predict properties on the Chemicalize site


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