ChemSpider 2D Image | Ethyl 3-(4-isopropoxyphenyl)-3-({3-[3,4,6-trimethyl-1-(2-methyl-2-propanyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}amino)propanoate | C30H42N4O4

Ethyl 3-(4-isopropoxyphenyl)-3-({3-[3,4,6-trimethyl-1-(2-methyl-2-propanyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}amino)propanoate

  • Molecular FormulaC30H42N4O4
  • Average mass522.679 Da
  • Monoisotopic mass522.320618 Da
  • ChemSpider ID21904074

More details:

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

3-(4-Isopropoxyphényl)-3-({3-[3,4,6-triméthyl-1-(2-méthyl-2-propanyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}amino)propanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-[[3-[1-(1,1-dimethylethyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-1-oxopropyl]amino]-4-(1-methylethoxy)-, ethyl ester [ACD/Index Name]
Ethyl 3-(4-isopropoxyphenyl)-3-({3-[3,4,6-trimethyl-1-(2-methyl-2-propanyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}amino)propanoate [ACD/IUPAC Name]
Ethyl-3-(4-isopropoxyphenyl)-3-({3-[3,4,6-trimethyl-1-(2-methyl-2-propanyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}amino)propanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 692.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.6±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 149.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 640.18
ACD/KOC (pH 5.5): 1859.69
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5599.72
ACD/KOC (pH 7.4): 16266.97
Polar Surface Area: 95 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 459.3±7.0 cm3

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