ChemSpider 2D Image | Methyl 5-({2-[4-(methoxycarbonyl)-5-methyl-2-furyl]-7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazol-1-yl}methyl)-2-methyl-3-furoate | C25H24N2O8

Methyl 5-({2-[4-(methoxycarbonyl)-5-methyl-2-furyl]-7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazol-1-yl}methyl)-2-methyl-3-furoate

  • Molecular FormulaC25H24N2O8
  • Average mass480.467 Da
  • Monoisotopic mass480.153259 Da
  • ChemSpider ID30491389

More details:

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

3-Furancarboxylic acid, 5-[[7,8-dihydro-2-[4-(methoxycarbonyl)-5-methyl-2-furanyl]-1H,6H-[1,4]dioxepino[2,3-f]benzimidazol-1-yl]methyl]-2-methyl-, methyl ester [ACD/Index Name]
5-({2-[4-(Méthoxycarbonyl)-5-méthyl-2-furyl]-7,8-dihydro-1H,6H-[1,4]dioxépino[2,3-f]benzimidazol-1-yl}méthyl)-2-méthyl-3-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-({2-[4-(methoxycarbonyl)-5-methyl-2-furyl]-7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazol-1-yl}methyl)-2-methyl-3-furoate [ACD/IUPAC Name]
Methyl-5-({2-[4-(methoxycarbonyl)-5-methyl-2-furyl]-7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazol-1-yl}methyl)-2-methyl-3-furoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 663.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.1±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 121.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 614.07
ACD/KOC (pH 5.5): 3373.03
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 661.94
ACD/KOC (pH 7.4): 3635.97
Polar Surface Area: 115 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 337.5±7.0 cm3

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