ChemSpider 2D Image | 2-{1-[2-(Benzylamino)-4-pyridinyl]-6-(trifluoromethyl)-1H-indazol-3-yl}-4-(2-methyl-2-propanyl)-2,5-diazabicyclo[2.2.1]heptane-3-carboxylic acid | C30H31F3N6O2

2-{1-[2-(Benzylamino)-4-pyridinyl]-6-(trifluoromethyl)-1H-indazol-3-yl}-4-(2-methyl-2-propanyl)-2,5-diazabicyclo[2.2.1]heptane-3-carboxylic acid

  • Molecular FormulaC30H31F3N6O2
  • Average mass564.601 Da
  • Monoisotopic mass564.246033 Da
  • ChemSpider ID9448026

More details:

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

2,5-Diazabicyclo[2.2.1]heptane-3-carboxylic acid, 4-(1,1-dimethylethyl)-2-[1-[2-[(phenylmethyl)amino]-4-pyridinyl]-6-(trifluoromethyl)-1H-indazol-3-yl]- [ACD/Index Name]
2-{1-[2-(Benzylamino)-4-pyridinyl]-6-(trifluormethyl)-1H-indazol-3-yl}-4-(2-methyl-2-propanyl)-2,5-diazabicyclo[2.2.1]heptan-3-carbonsäure [German] [ACD/IUPAC Name]
2-{1-[2-(Benzylamino)-4-pyridinyl]-6-(trifluoromethyl)-1H-indazol-3-yl}-4-(2-methyl-2-propanyl)-2,5-diazabicyclo[2.2.1]heptane-3-carboxylic acid [ACD/IUPAC Name]
Acide 2-{1-[2-(benzylamino)-4-pyridinyl]-6-(trifluorométhyl)-1H-indazol-3-yl}-4-(2-méthyl-2-propanyl)-2,5-diazabicyclo[2.2.1]heptane-3-carboxylique [French] [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: 684.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 367.9±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 148.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 7.17
ACD/KOC (pH 5.5): 25.66
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 9.19
ACD/KOC (pH 7.4): 32.90
Polar Surface Area: 95 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 400.7±7.0 cm3

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