ChemSpider 2D Image | N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide | C30H36N2O7S

N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC30H36N2O7S
  • Average mass568.681 Da
  • Monoisotopic mass568.224304 Da
  • ChemSpider ID2656213

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[2-[[2-(3,4-dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)- [ACD/Index Name]
N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-(2-{[2-(3,4-Diméthoxyphényl)éthyl][(3-méthyl-2-thiényl)méthyl]amino}-2-oxoéthyl)-N-(3-méthoxypropyl)-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: 743.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.5±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 154.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.63
ACD/KOC (pH 5.5): 1383.97
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.63
ACD/KOC (pH 7.4): 1383.97
Polar Surface Area: 115 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 457.3±3.0 cm3

Click to predict properties on the Chemicalize site


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