ChemSpider 2D Image | 2-Methyl-2-propanyl 1-{4-[(Z)-({[1-ethyl-3-methyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenyl}-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oate | C40H52N6O8

2-Methyl-2-propanyl 1-{4-[(Z)-({[1-ethyl-3-methyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenyl}-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oate

  • Molecular FormulaC40H52N6O8
  • Average mass744.876 Da
  • Monoisotopic mass744.384644 Da
  • ChemSpider ID101411877

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{4-[(Z)-({[1-Éthyl-3-méthyl-6-(4-méthylphényl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)méthyl]phényl}-1-oxo-5,8,11,14-tétraoxa-2-azaheptadécan-17-oate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1-ethyl-3-methyl-6-(4-methylphenyl)-, 2-[(1Z)-[4-(19,19-dimethyl-1,17-dioxo-5,8,11,14,18-pentaoxa-2-azaeicos-1-yl)phenyl]methylene]hydrazide [ACD/Index Name]
2-Methyl-2-propanyl 1-{4-[(Z)-({[1-ethyl-3-methyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenyl}-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-{4-[(Z)-({[1-ethyl-3-methyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenyl}-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 204.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1273.61
ACD/KOC (pH 5.5): 5809.83
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1268.00
ACD/KOC (pH 7.4): 5784.24
Polar Surface Area: 164 Å2
Polarizability: 81.2±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 619.3±7.0 cm3

Click to predict properties on the Chemicalize site


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