ChemSpider 2D Image | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-Hexadecahydro-1,4a,6a-trimethyl-2-oxo-N-(1,1,3,3-tetramethylbutyl)-1H-indeno[5,4-f]quinoline-7-carboxamide | C28H48N2O2

(4aR,4bS,6aS,7S,9aS,9bS,11aR)-Hexadecahydro-1,4a,6a-trimethyl-2-oxo-N-(1,1,3,3-tetramethylbutyl)-1H-indeno[5,4-f]quinoline-7-carboxamide

  • Molecular FormulaC28H48N2O2
  • Average mass444.693 Da
  • Monoisotopic mass444.371582 Da
  • ChemSpider ID31107390

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1,4a,6a-Trimethyl-2-oxo-N-(2,4,4-trimethyl-2-pentanyl)hexadecahydro-1H-indeno[5,4-f]chinolin-7-carboxamid [German] [ACD/IUPAC Name]
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1,4a,6a-Triméthyl-2-oxo-N-(2,4,4-triméthyl-2-pentanyl)hexadécahydro-1H-indéno[5,4-f]quinoléine-7-carboxamide [French] [ACD/IUPAC Name]
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1,4a,6a-Trimethyl-2-oxo-N-(2,4,4-trimethyl-2-pentanyl)hexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide [ACD/IUPAC Name]
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-Hexadecahydro-1,4a,6a-trimethyl-2-oxo-N-(1,1,3,3-tetramethylbutyl)-1H-indeno[5,4-f]quinoline-7-carboxamide
103335-45-1 [RN]
1H-Indeno[5,4-f]quinoline-7-carboxamide, hexadecahydro-1,4a,6a-trimethyl-2-oxo-N-(1,1,3,3-tetramethylbutyl)-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 586.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.3±30.1 °C
Index of Refraction: 1.510
Molar Refractivity: 130.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5810.56
ACD/KOC (pH 5.5): 17219.43
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5810.57
ACD/KOC (pH 7.4): 17219.46
Polar Surface Area: 49 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 437.4±3.0 cm3

Click to predict properties on the Chemicalize site


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