ChemSpider 2D Image | 4-[3-{[2-(Dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]amino}-2-({4-[(ethoxycarbonyl)oxy]benzoyl}amino)-3-oxopropyl]phenyl acetate | C34H41N3O10

4-[3-{[2-(Dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]amino}-2-({4-[(ethoxycarbonyl)oxy]benzoyl}amino)-3-oxopropyl]phenyl acetate

  • Molecular FormulaC34H41N3O10
  • Average mass651.703 Da
  • Monoisotopic mass651.279175 Da
  • ChemSpider ID120988807

More details:

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

4-[3-{[2-(Dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]amino}-2-({4-[(ethoxycarbonyl)oxy]benzoyl}amino)-3-oxopropyl]phenyl acetate [ACD/IUPAC Name]
4-[3-{[2-(Dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]amino}-2-({4-[(ethoxycarbonyl)oxy]benzoyl}amino)-3-oxopropyl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[3-{[2-(diméthylamino)-2-(3,4,5-triméthoxyphényl)éthyl]amino}-2-({4-[(éthoxycarbonyl)oxy]benzoyl}amino)-3-oxopropyl]phényle [French] [ACD/IUPAC Name]
Carbonic acid, 4-[[[1-[[4-(acetyloxy)phenyl]methyl]-2-[[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]amino]-2-oxoethyl]amino]carbonyl]phenyl ethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 825.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 453.0±34.3 °C
Index of Refraction: 1.561
Molar Refractivity: 173.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 33.58
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 91.54
ACD/KOC (pH 7.4): 798.09
Polar Surface Area: 151 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 534.7±3.0 cm3

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