ChemSpider 2D Image | (4aS,4bS,6aR,7R,9aS,9bR,11aS)-3-Fluoro-N-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide | C27H34FN5O2

(4aS,4bS,6aR,7R,9aS,9bR,11aS)-3-Fluoro-N-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide

  • Molecular FormulaC27H34FN5O2
  • Average mass479.590 Da
  • Monoisotopic mass479.269653 Da
  • ChemSpider ID114391507

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aS,4bS,6aR,7R,9aS,9bR,11aS)-3-Fluor-N-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]chinolin-7-carboxamid [German] [ACD/IUPAC Name]
(4aS,4bS,6aR,7R,9aS,9bR,11aS)-3-Fluoro-N-(3H-imidazo[4,5-b]pyridin-2-ylméthyl)-1,4a,6a-triméthyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tétradécahydro-1H-indéno[5,4-f]quinoléine-7-carboxamide [French] [ACD/IUPAC Name]
(4aS,4bS,6aR,7R,9aS,9bR,11aS)-3-Fluoro-N-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide [ACD/IUPAC Name]
1H-Indeno[5,4-f]quinoline-7-carboxamide, 3-fluoro-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-N-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4a,6a-trimethyl-2-oxo-, (4aS,4bS,6aR,7R,9aS,9bR,11aS)- [ACD/Index 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: 754.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 409.9±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 38.52
ACD/KOC (pH 5.5): 386.39
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 73.96
ACD/KOC (pH 7.4): 741.97
Polar Surface Area: 91 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 365.5±5.0 cm3

Click to predict properties on the Chemicalize site


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