ChemSpider 2D Image | 2-({4-[3-(3,4-Dimethoxyphenyl)propanoyl]-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl}oxy)-N,N-diethylacetamide | C30H41N3O6

2-({4-[3-(3,4-Dimethoxyphenyl)propanoyl]-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl}oxy)-N,N-diethylacetamide

  • Molecular FormulaC30H41N3O6
  • Average mass539.663 Da
  • Monoisotopic mass539.299561 Da
  • ChemSpider ID22181751

More details:

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

2-({4-[3-(3,4-Dimethoxyphenyl)propanoyl]-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl}oxy)-N,N-diethylacetamid [German] [ACD/IUPAC Name]
2-({4-[3-(3,4-Dimethoxyphenyl)propanoyl]-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl}oxy)-N,N-diethylacetamide [ACD/IUPAC Name]
2-({4-[3-(3,4-Diméthoxyphényl)propanoyl]-2-oxo-1-(2-phényléthyl)-1,4-diazépan-6-yl}oxy)-N,N-diéthylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-[3-(3,4-dimethoxyphenyl)-1-oxopropyl]hexahydro-2-oxo-1-(2-phenylethyl)-1H-1,4-diazepin-6-yl]oxy]-N,N-diethyl- [ACD/Index Name]
2-{[4-[3-(3,4-dimethoxyphenyl)propanoyl]-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl]oxy}-N,N-diethylacetamide
ZINC14542994

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

Density: 1.2±0.1 g/cm3
Boiling Point: 736.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.1±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 150.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 97.71
ACD/KOC (pH 5.5): 924.72
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.71
ACD/KOC (pH 7.4): 924.72
Polar Surface Area: 89 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 451.1±5.0 cm3

Click to predict properties on the Chemicalize site


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