ChemSpider 2D Image | N-(2-{(1,3-Benzodioxol-5-ylmethyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-4-butoxy-N-[2-(4-morpholinyl)ethyl]benzamide | C33H41N3O7

N-(2-{(1,3-Benzodioxol-5-ylmethyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-4-butoxy-N-[2-(4-morpholinyl)ethyl]benzamide

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID3313827

More details:

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

Benzamide, N-[2-[(1,3-benzodioxol-5-ylmethyl)[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl]-4-butoxy-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
N-(2-{(1,3-Benzodioxol-5-ylmethyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-4-butoxy-N-[2-(4-morpholinyl)ethyl]benzamid [German] [ACD/IUPAC Name]
N-(2-{(1,3-Benzodioxol-5-ylmethyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-4-butoxy-N-[2-(4-morpholinyl)ethyl]benzamide [ACD/IUPAC Name]
N-(2-{(1,3-Benzodioxol-5-ylméthyl)[(5-méthyl-2-furyl)méthyl]amino}-2-oxoéthyl)-4-butoxy-N-[2-(4-morpholinyl)éthyl]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: 763.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.6±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 161.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 59.07
ACD/KOC (pH 5.5): 385.19
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 340.33
ACD/KOC (pH 7.4): 2219.08
Polar Surface Area: 94 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 484.9±3.0 cm3

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