ChemSpider 2D Image | 2-({4-[3-(1H-Benzimidazol-2-yl)propanoyl]-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl}oxy)-N,N-diethylacetamide | C29H37N5O4

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

  • Molecular FormulaC29H37N5O4
  • Average mass519.635 Da
  • Monoisotopic mass519.284546 Da
  • ChemSpider ID22350898

More details:






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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 802.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 439.3±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 146.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 13.42
ACD/KOC (pH 5.5): 161.99
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.41
ACD/KOC (pH 7.4): 487.90
Polar Surface Area: 99 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 413.4±5.0 cm3

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