ChemSpider 2D Image | N,N-Diethyl-2-({4-[3-(1H-indol-3-yl)propanoyl]-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl}oxy)acetamide | C30H38N4O4

N,N-Diethyl-2-({4-[3-(1H-indol-3-yl)propanoyl]-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl}oxy)acetamide

  • Molecular FormulaC30H38N4O4
  • Average mass518.647 Da
  • Monoisotopic mass518.289307 Da
  • ChemSpider ID22188332

More details:

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

Acetamide, N,N-diethyl-2-[[hexahydro-4-[3-(1H-indol-3-yl)-1-oxopropyl]-2-oxo-1-(2-phenylethyl)-1H-1,4-diazepin-6-yl]oxy]- [ACD/Index Name]
N,N-Diethyl-2-({4-[3-(1H-indol-3-yl)propanoyl]-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl}oxy)acetamid [German] [ACD/IUPAC Name]
N,N-Diethyl-2-({4-[3-(1H-indol-3-yl)propanoyl]-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl}oxy)acetamide [ACD/IUPAC Name]
N,N-Diéthyl-2-({4-[3-(1H-indol-3-yl)propanoyl]-2-oxo-1-(2-phényléthyl)-1,4-diazépan-6-yl}oxy)acétamide [French] [ACD/IUPAC Name]
N,N-diethyl-2-{[4-[3-(1H-indol-3-yl)propanoyl]-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl]oxy}acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 777.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.7±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.70
ACD/KOC (pH 5.5): 1619.12
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.70
ACD/KOC (pH 7.4): 1619.12
Polar Surface Area: 86 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 420.5±5.0 cm3

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