ChemSpider 2D Image | N-[1-(3-Fluorophenyl)-4-piperidinyl]-N-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxamide | C21H21FN6O3

N-[1-(3-Fluorophenyl)-4-piperidinyl]-N-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC21H21FN6O3
  • Average mass424.428 Da
  • Monoisotopic mass424.165924 Da
  • ChemSpider ID30258095

More details:

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

1H-1,2,3-Triazole-4-carboxamide, N-[1-(3-fluorophenyl)-4-piperidinyl]-N-methyl-1-(3-nitrophenyl)- [ACD/Index Name]
N-[1-(3-Fluorophenyl)-4-piperidinyl]-N-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
N-[1-(3-Fluorophényl)-4-pipéridinyl]-N-méthyl-1-(3-nitrophényl)-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
N-[1-(3-Fluorphenyl)-4-piperidinyl]-N-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC 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: 652.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.6±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 113.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.90
ACD/KOC (pH 5.5): 619.17
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.17
ACD/KOC (pH 7.4): 622.12
Polar Surface Area: 100 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 302.8±7.0 cm3

Click to predict properties on the Chemicalize site


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