ChemSpider 2D Image | N-[2-(Diethylamino)ethyl]-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)-1,3-benzodioxole-5-carboxamide | C31H38N6O5

N-[2-(Diethylamino)ethyl]-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC31H38N6O5
  • Average mass574.671 Da
  • Monoisotopic mass574.290344 Da
  • ChemSpider ID22677945

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[2-(diethylamino)ethyl]-N-[2-[4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
N-[2-(Diethylamino)ethyl]-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-[2-(Diethylamino)ethyl]-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-[2-(Diéthylamino)éthyl]-N-(2-{4-[6-(3-méthoxyphényl)-3-pyridazinyl]-1-pipérazinyl}-2-oxoéthyl)-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC 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: 821.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 450.4±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 157.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.90
Polar Surface Area: 101 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 460.4±3.0 cm3

Click to predict properties on the Chemicalize site


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