ChemSpider 2D Image | 3,3,3-Trifluoro-1-(3-methyl-1-{2-methyl-6-[3-(1-methyl-1H-benzimidazol-2-yl)-1-azetidinyl]-4-pyrimidinyl}-1H-1,2,4-triazol-5-yl)-1-propanol | C22H23F3N8O

3,3,3-Trifluoro-1-(3-methyl-1-{2-methyl-6-[3-(1-methyl-1H-benzimidazol-2-yl)-1-azetidinyl]-4-pyrimidinyl}-1H-1,2,4-triazol-5-yl)-1-propanol

  • Molecular FormulaC22H23F3N8O
  • Average mass472.466 Da
  • Monoisotopic mass472.194702 Da
  • ChemSpider ID76817742

More details:

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

1H-1,2,4-Triazole-5-methanol, 3-methyl-1-[2-methyl-6-[3-(1-methyl-1H-benzimidazol-2-yl)-1-azetidinyl]-4-pyrimidinyl]-α-(2,2,2-trifluoroethyl)- [ACD/Index Name]
3,3,3-Trifluor-1-(3-methyl-1-{2-methyl-6-[3-(1-methyl-1H-benzimidazol-2-yl)-1-azetidinyl]-4-pyrimidinyl}-1H-1,2,4-triazol-5-yl)-1-propanol [German] [ACD/IUPAC Name]
3,3,3-Trifluoro-1-(3-methyl-1-{2-methyl-6-[3-(1-methyl-1H-benzimidazol-2-yl)-1-azetidinyl]-4-pyrimidinyl}-1H-1,2,4-triazol-5-yl)-1-propanol [ACD/IUPAC Name]
3,3,3-Trifluoro-1-(3-méthyl-1-{2-méthyl-6-[3-(1-méthyl-1H-benzimidazol-2-yl)-1-azétidinyl]-4-pyrimidinyl}-1H-1,2,4-triazol-5-yl)-1-propanol [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 733.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 397.6±35.7 °C
Index of Refraction: 1.697
Molar Refractivity: 118.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 8.89
ACD/KOC (pH 5.5): 134.96
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.24
ACD/KOC (pH 7.4): 277.07
Polar Surface Area: 98 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 308.4±7.0 cm3

Click to predict properties on the Chemicalize site


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