ChemSpider 2D Image | 3,4,5-Triethoxy-N-(2-methyl-1-{4-[3-(4-morpholinyl)propanoyl]-1-piperazinyl}-1-oxo-2-butanyl)benzamide | C29H46N4O7

3,4,5-Triethoxy-N-(2-methyl-1-{4-[3-(4-morpholinyl)propanoyl]-1-piperazinyl}-1-oxo-2-butanyl)benzamide

  • Molecular FormulaC29H46N4O7
  • Average mass562.698 Da
  • Monoisotopic mass562.336670 Da
  • ChemSpider ID122205623

More details:

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

3,4,5-Triethoxy-N-(2-methyl-1-{4-[3-(4-morpholinyl)propanoyl]-1-piperazinyl}-1-oxo-2-butanyl)benzamid [German] [ACD/IUPAC Name]
3,4,5-Triethoxy-N-(2-methyl-1-{4-[3-(4-morpholinyl)propanoyl]-1-piperazinyl}-1-oxo-2-butanyl)benzamide [ACD/IUPAC Name]
3,4,5-Triéthoxy-N-(2-méthyl-1-{4-[3-(4-morpholinyl)propanoyl]-1-pipérazinyl}-1-oxo-2-butanyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3,4,5-triethoxy-N-[1-methyl-1-[[4-[3-(4-morpholinyl)-1-oxopropyl]-1-piperazinyl]carbonyl]propyl]- [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: 706.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.8±32.9 °C
Index of Refraction: 1.532
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.35
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 7.97
ACD/KOC (pH 7.4): 143.84
Polar Surface Area: 110 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 488.0±3.0 cm3

Click to predict properties on the Chemicalize site


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