ChemSpider 2D Image | 2-Methyl-2-propanyl 1-{4-[(Z)-({[1,3-dimethyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenoxy}-3,6,9,12-tetraoxapentadecan-15-oate | C38H49N5O8

2-Methyl-2-propanyl 1-{4-[(Z)-({[1,3-dimethyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenoxy}-3,6,9,12-tetraoxapentadecan-15-oate

  • Molecular FormulaC38H49N5O8
  • Average mass703.824 Da
  • Monoisotopic mass703.358093 Da
  • ChemSpider ID101397127

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{4-[(Z)-({[1,3-Diméthyl-6-(4-méthylphényl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)méthyl]phénoxy}-3,6,9,12-tétraoxapentadécan-15-oate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1,3-dimethyl-6-(4-methylphenyl)-, 2-[(1Z)-[4-[(17,17-dimethyl-15-oxo-3,6,9,12,16-pentaoxaoctadec-1-yl)oxy]phenyl]methylene]hydrazide [ACD/Index Name]
2-Methyl-2-propanyl 1-{4-[(Z)-({[1,3-dimethyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenoxy}-3,6,9,12-tetraoxapentadecan-15-oate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-{4-[(Z)-({[1,3-dimethyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenoxy}-3,6,9,12-tetraoxapentadecan-15-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: 1.566
Molar Refractivity: 193.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1525.75
ACD/KOC (pH 5.5): 6611.80
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1521.87
ACD/KOC (pH 7.4): 6594.99
Polar Surface Area: 145 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 591.9±7.0 cm3

Click to predict properties on the Chemicalize site


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