ChemSpider 2D Image | 2-[Bis(2-methoxyethyl)amino]-2-oxoethyl 3-methyl-1-phenyl-6-(2-thienyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate | C26H28N4O5S

2-[Bis(2-methoxyethyl)amino]-2-oxoethyl 3-methyl-1-phenyl-6-(2-thienyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate

  • Molecular FormulaC26H28N4O5S
  • Average mass508.589 Da
  • Monoisotopic mass508.178040 Da
  • ChemSpider ID3584118

More details:

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

1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 3-methyl-1-phenyl-6-(2-thienyl)-, 2-[bis(2-methoxyethyl)amino]-2-oxoethyl ester [ACD/Index Name]
2-[Bis(2-methoxyethyl)amino]-2-oxoethyl 3-methyl-1-phenyl-6-(2-thienyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate [ACD/IUPAC Name]
2-[Bis(2-methoxyethyl)amino]-2-oxoethyl-3-methyl-1-phenyl-6-(2-thienyl)-1H-pyrazolo[3,4-b]pyridin-4-carboxylat [German] [ACD/IUPAC Name]
3-Méthyl-1-phényl-6-(2-thiényl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate de 2-[bis(2-méthoxyéthyl)amino]-2-oxoéthyle [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: 655.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 349.9±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 139.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 358.94
ACD/KOC (pH 5.5): 2346.86
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 358.94
ACD/KOC (pH 7.4): 2346.87
Polar Surface Area: 124 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 393.5±7.0 cm3

Click to predict properties on the Chemicalize site


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