ChemSpider 2D Image | N~2~-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[(1-methyl-1H-indol-3-yl)methyl]-L-alaninamide | C34H38N4O6

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[(1-methyl-1H-indol-3-yl)methyl]-L-alaninamide

  • Molecular FormulaC34H38N4O6
  • Average mass598.689 Da
  • Monoisotopic mass598.279114 Da
  • ChemSpider ID35145662
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[(1-methyl-1H-indol-3-yl)methyl]-L-alaninamid [German] [ACD/IUPAC Name]
N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[(1-methyl-1H-indol-3-yl)methyl]-L-alaninamide [ACD/IUPAC Name]
N2-[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]-N-[(1-méthyl-1H-indol-3-yl)méthyl]-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-[(1-methyl-1H-indol-3-yl)methyl]-, (2S)- [ACD/Index Name]
(S)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-((1-methyl-1H-indol-3-yl)methyl)propanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 964.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.6±3.0 kJ/mol
Flash Point: 536.9±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 165.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.64
ACD/KOC (pH 5.5): 957.86
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.64
ACD/KOC (pH 7.4): 957.87
Polar Surface Area: 120 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 467.3±7.0 cm3

Click to predict properties on the Chemicalize site






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