ChemSpider 2D Image | N-(5-Acetamido-2-methoxyphenyl)-6-{[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanamide | C36H44N4O8

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

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID32510762
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Hexanamide, N-[5-(acetylamino)-2-methoxyphenyl]-6-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]- [ACD/Index Name]
N-(5-Acetamido-2-methoxyphenyl)-6-{[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanamid [German] [ACD/IUPAC Name]
N-(5-Acetamido-2-methoxyphenyl)-6-{[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanamide [ACD/IUPAC Name]
N-(5-Acétamido-2-méthoxyphényl)-6-{[(7S)-7-acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]amino}hexanamide [French] [ACD/IUPAC Name]
1630914-11-2 [RN]
c36h44n4o8
N-(5-acetamido-2-methoxyphenyl)-6-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]hexanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 990.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.6±3.0 kJ/mol
Flash Point: 552.6±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 179.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.75
ACD/KOC (pH 5.5): 763.03
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.88
ACD/KOC (pH 7.4): 764.34
Polar Surface Area: 153 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 519.7±5.0 cm3

Click to predict properties on the Chemicalize site






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