ChemSpider 2D Image | 7-(2-{2-[2-({[7-(Diethylamino)-2-oxo-2H-chromen-3-yl]carbonyl}amino)ethoxy]ethoxy}ethoxy)-1-methyl-N-[(3-exo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide | C38H50N6O7

7-(2-{2-[2-({[7-(Diethylamino)-2-oxo-2H-chromen-3-yl]carbonyl}amino)ethoxy]ethoxy}ethoxy)-1-methyl-N-[(3-exo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide

  • Molecular FormulaC38H50N6O7
  • Average mass702.840 Da
  • Monoisotopic mass702.374084 Da
  • ChemSpider ID31124562

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Indazole-3-carboxamide, 7-[2-[2-[2-[[[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]carbonyl]amino]ethoxy]ethoxy]ethoxy]-1-methyl-N-[(3-exo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]- [ACD/Index Name]
7-(2-{2-[2-({[7-(Diethylamino)-2-oxo-2H-chromen-3-yl]carbonyl}amino)ethoxy]ethoxy}ethoxy)-1-methyl-N-[(3-exo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
7-(2-{2-[2-({[7-(Diethylamino)-2-oxo-2H-chromen-3-yl]carbonyl}amino)ethoxy]ethoxy}ethoxy)-1-methyl-N-[(3-exo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide [ACD/IUPAC Name]
7-(2-{2-[2-({[7-(Diéthylamino)-2-oxo-2H-chromén-3-yl]carbonyl}amino)éthoxy]éthoxy}éthoxy)-1-méthyl-N-[(3-exo)-9-méthyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide [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: 930.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 516.4±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 190.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.52
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 5.90
Polar Surface Area: 136 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 532.4±7.0 cm3

Click to predict properties on the Chemicalize site


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