ChemSpider 2D Image | N-{2-[(1,3-Benzodioxol-5-ylmethyl)(2-thienylmethyl)amino]-2-oxoethyl}-4-hexyl-N-(3-methoxypropyl)benzamide | C32H40N2O5S

N-{2-[(1,3-Benzodioxol-5-ylmethyl)(2-thienylmethyl)amino]-2-oxoethyl}-4-hexyl-N-(3-methoxypropyl)benzamide

  • Molecular FormulaC32H40N2O5S
  • Average mass564.735 Da
  • Monoisotopic mass564.265808 Da
  • ChemSpider ID3870794

More details:

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

Benzamide, N-[2-[(1,3-benzodioxol-5-ylmethyl)(2-thienylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)- [ACD/Index Name]
N-{2-[(1,3-Benzodioxol-5-ylmethyl)(2-thienylmethyl)amino]-2-oxoethyl}-4-hexyl-N-(3-methoxypropyl)benzamid [German] [ACD/IUPAC Name]
N-{2-[(1,3-Benzodioxol-5-ylmethyl)(2-thienylmethyl)amino]-2-oxoethyl}-4-hexyl-N-(3-methoxypropyl)benzamide [ACD/IUPAC Name]
N-{2-[(1,3-Benzodioxol-5-ylméthyl)(2-thiénylméthyl)amino]-2-oxoéthyl}-4-hexyl-N-(3-méthoxypropyl)benzamide [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: 726.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.9±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 159.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 17017.34
ACD/KOC (pH 5.5): 37158.60
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 17017.34
ACD/KOC (pH 7.4): 37158.60
Polar Surface Area: 97 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 475.4±3.0 cm3

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