ChemSpider 2D Image | 1-[(4-{3-Isobutoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol | C26H33F3N4O3

1-[(4-{3-Isobutoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol

  • Molecular FormulaC26H33F3N4O3
  • Average mass506.560 Da
  • Monoisotopic mass506.250488 Da
  • ChemSpider ID22673411

More details:

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

1-[(4-{3-Isobutoxy-5-[4-(trifluormethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol [German] [ACD/IUPAC Name]
1-[(4-{3-Isobutoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol [ACD/IUPAC Name]
1-[(4-{3-Isobutoxy-5-[4-(trifluorométhyl)phényl]-1H-1,2,4-triazol-1-yl}phényl)amino]-3-[(2-méthyl-2-propanyl)oxy]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(1,1-dimethylethoxy)-3-[[4-[3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.8±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 131.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10729.55
ACD/KOC (pH 5.5): 26707.89
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10732.94
ACD/KOC (pH 7.4): 26716.34
Polar Surface Area: 81 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 36.9±7.0 dyne/cm
Molar Volume: 415.3±7.0 cm3

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