ChemSpider 2D Image | N-[2,6-Difluoro-3-(1H-1,2,4-triazol-5-yl)benzyl]-2-indanamine | C18H16F2N4

N-[2,6-Difluoro-3-(1H-1,2,4-triazol-5-yl)benzyl]-2-indanamine

  • Molecular FormulaC18H16F2N4
  • Average mass326.343 Da
  • Monoisotopic mass326.134308 Da
  • ChemSpider ID57524567

More details:

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

1H-Inden-2-amine, N-[[2,6-difluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-2,3-dihydro- [ACD/Index Name]
N-[2,6-Difluor-3-(1H-1,2,4-triazol-5-yl)benzyl]-2-indanamin [German] [ACD/IUPAC Name]
N-[2,6-Difluoro-3-(1H-1,2,4-triazol-5-yl)benzyl]-2-indanamine [ACD/IUPAC Name]
N-[2,6-Difluoro-3-(1H-1,2,4-triazol-5-yl)benzyl]-2-indanamine [French] [ACD/IUPAC Name]
1007573-18-3 [RN]
GSK-1521498

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

Density: 1.4±0.1 g/cm3
Boiling Point: 509.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.7±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 86.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 11.16
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 53.89
ACD/KOC (pH 7.4): 464.45
Polar Surface Area: 54 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 238.7±5.0 cm3

Click to predict properties on the Chemicalize site


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