ChemSpider 2D Image | N,N-Diethyl-2-{[2-oxo-1-(2-phenylethyl)-4-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}-1,4-diazepan-6-yl]oxy}acetamide | C28H36N6O3

N,N-Diethyl-2-{[2-oxo-1-(2-phenylethyl)-4-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}-1,4-diazepan-6-yl]oxy}acetamide

  • Molecular FormulaC28H36N6O3
  • Average mass504.624 Da
  • Monoisotopic mass504.284882 Da
  • ChemSpider ID23068382

More details:

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

Acetamide, N,N-diethyl-2-[[hexahydro-2-oxo-1-(2-phenylethyl)-4-[[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl]-1H-1,4-diazepin-6-yl]oxy]- [ACD/Index Name]
N,N-Diethyl-2-{[2-oxo-1-(2-phenylethyl)-4-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}-1,4-diazepan-6-yl]oxy}acetamid [German] [ACD/IUPAC Name]
N,N-Diethyl-2-{[2-oxo-1-(2-phenylethyl)-4-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}-1,4-diazepan-6-yl]oxy}acetamide [ACD/IUPAC Name]
N,N-Diéthyl-2-{[2-oxo-1-(2-phényléthyl)-4-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]méthyl}-1,4-diazépan-6-yl]oxy}acétamide [French] [ACD/IUPAC Name]
N,N-diethyl-2-[(2-oxo-1-(2-phenylethyl)-4-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}-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: 722.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.4±35.7 °C
Index of Refraction: 1.611
Molar Refractivity: 146.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 3.45
ACD/KOC (pH 5.5): 47.14
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 24.81
ACD/KOC (pH 7.4): 338.58
Polar Surface Area: 84 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 420.6±7.0 cm3

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