ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-N-(2-{4-[6-(2,4-dimethoxyphenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)propanamide | C29H33N5O6

N-(1,3-Benzodioxol-5-ylmethyl)-N-(2-{4-[6-(2,4-dimethoxyphenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)propanamide

  • Molecular FormulaC29H33N5O6
  • Average mass547.602 Da
  • Monoisotopic mass547.243103 Da
  • ChemSpider ID22654856

More details:

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

N-(1,3-Benzodioxol-5-ylmethyl)-N-(2-{4-[6-(2,4-dimethoxyphenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)propanamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N-(2-{4-[6-(2,4-dimethoxyphenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)propanamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-N-(2-{4-[6-(2,4-diméthoxyphényl)-3-pyridazinyl]-1-pipérazinyl}-2-oxoéthyl)propanamide [French] [ACD/IUPAC Name]
Propanamide, N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[4-[6-(2,4-dimethoxyphenyl)-3-pyridazinyl]-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 793.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.5±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 12.03
ACD/KOC (pH 5.5): 178.44
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 19.96
ACD/KOC (pH 7.4): 295.99
Polar Surface Area: 107 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 426.0±3.0 cm3

Click to predict properties on the Chemicalize site


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