ChemSpider 2D Image | 2-{4-[3-(3-Fluorophenyl)-2-(5-methyl-1H-tetrazol-1-yl)propanoyl]-1-piperazinyl}nicotinonitrile | C21H21FN8O

2-{4-[3-(3-Fluorophenyl)-2-(5-methyl-1H-tetrazol-1-yl)propanoyl]-1-piperazinyl}nicotinonitrile

  • Molecular FormulaC21H21FN8O
  • Average mass420.443 Da
  • Monoisotopic mass420.182251 Da
  • ChemSpider ID31718853

More details:

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

2-{4-[3-(3-Fluorophenyl)-2-(5-methyl-1H-tetrazol-1-yl)propanoyl]-1-piperazinyl}nicotinonitrile [ACD/IUPAC Name]
2-{4-[3-(3-Fluorophényl)-2-(5-méthyl-1H-tétrazol-1-yl)propanoyl]-1-pipérazinyl}nicotinonitrile [French] [ACD/IUPAC Name]
2-{4-[3-(3-Fluorphenyl)-2-(5-methyl-1H-tetrazol-1-yl)propanoyl]-1-piperazinyl}nicotinonitril [German] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 2-[4-[3-(3-fluorophenyl)-2-(5-methyl-1H-tetrazol-1-yl)-1-oxopropyl]-1-piperazinyl]- [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: 728.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.3±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 115.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.66
ACD/KOC (pH 5.5): 97.48
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.97
ACD/KOC (pH 7.4): 124.87
Polar Surface Area: 104 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 303.6±7.0 cm3

Click to predict properties on the Chemicalize site


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