ChemSpider 2D Image | {4-(4-Chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}[(2-methyl-2-propanyl)oxy]acetic acid | C27H31ClN4O3

{4-(4-Chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}[(2-methyl-2-propanyl)oxy]acetic acid

  • Molecular FormulaC27H31ClN4O3
  • Average mass495.013 Da
  • Monoisotopic mass494.208466 Da
  • ChemSpider ID129319728

More details:

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

{4-(4-Chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}[(2-methyl-2-propanyl)oxy]acetic acid [ACD/IUPAC Name]
{4-(4-Chlorphenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}[(2-methyl-2-propanyl)oxy]essigsäure [German] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine-5-acetic acid, 4-(4-chlorophenyl)-α-(1,1-dimethylethoxy)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]- [ACD/Index Name]
Acide {4-(4-chlorophényl)-2,3,6-triméthyl-1-[(1-méthyl-1H-pyrazol-4-yl)méthyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}[(2-méthyl-2-propanyl)oxy]acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 706.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 380.8±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 137.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 78.92
ACD/KOC (pH 5.5): 148.66
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 8.38
ACD/KOC (pH 7.4): 15.79
Polar Surface Area: 82 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 393.3±7.0 cm3

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