ChemSpider 2D Image | N-[(7S)-1,2,3-Trimethoxy-10-{[(2S)-3-methyl-1-oxo-1-(2-phenyl-4-morpholinyl)-2-butanyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | C36H43N3O7

N-[(7S)-1,2,3-Trimethoxy-10-{[(2S)-3-methyl-1-oxo-1-(2-phenyl-4-morpholinyl)-2-butanyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

  • Molecular FormulaC36H43N3O7
  • Average mass629.742 Da
  • Monoisotopic mass629.310120 Da
  • ChemSpider ID35147132

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-[[(1S)-2-methyl-1-[(2-phenyl-4-morpholinyl)carbonyl]propyl]amino]-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]
N-[(7S)-1,2,3-Trimethoxy-10-{[(2S)-3-methyl-1-oxo-1-(2-phenyl-4-morpholinyl)-2-butanyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamid [German] [ACD/IUPAC Name]
N-[(7S)-1,2,3-Trimethoxy-10-{[(2S)-3-methyl-1-oxo-1-(2-phenyl-4-morpholinyl)-2-butanyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide [ACD/IUPAC Name]
N-[(7S)-1,2,3-Triméthoxy-10-{[(2S)-3-méthyl-1-oxo-1-(2-phényl-4-morpholinyl)-2-butanyl]amino}-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]acétamide [French] [ACD/IUPAC Name]
N-((7S)-1,2,3-trimethoxy-10-(((2S)-3-methyl-1-oxo-1-(2-phenylmorpholino)butan-2-yl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 913.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.8±3.0 kJ/mol
Flash Point: 506.0±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 173.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 295.63
ACD/KOC (pH 5.5): 2042.50
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 295.63
ACD/KOC (pH 7.4): 2042.51
Polar Surface Area: 115 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 498.4±5.0 cm3

Click to predict properties on the Chemicalize site


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