ChemSpider 2D Image | 6-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]hexanamide | C39H51N3O8

6-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]hexanamide

  • Molecular FormulaC39H51N3O8
  • Average mass689.838 Da
  • Monoisotopic mass689.367615 Da
  • ChemSpider ID44206796

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

6-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]hexanamid [German] [ACD/IUPAC Name]
6-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]hexanamide [ACD/IUPAC Name]
6-{[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]amino}-N-[1-(3,4-diméthoxyphényl)-2-méthylpropyl]hexanamide [French] [ACD/IUPAC Name]
Hexanamide, 6-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]- [ACD/Index Name]
6-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(1-(3,4-dimethoxyphenyl)-2-methylpropyl)hexanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 951.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.6±3.0 kJ/mol
Flash Point: 529.3±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 191.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 257.38
ACD/KOC (pH 5.5): 1848.81
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 257.80
ACD/KOC (pH 7.4): 1851.81
Polar Surface Area: 133 Å2
Polarizability: 75.9±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 570.8±5.0 cm3

Click to predict properties on the Chemicalize site


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