ChemSpider 2D Image | 5-{[Allyl(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid | C35H34N2O7

5-{[Allyl(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid

  • Molecular FormulaC35H34N2O7
  • Average mass594.654 Da
  • Monoisotopic mass594.236572 Da
  • ChemSpider ID31134221

More details:

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

1,3-Benzodioxole-4-carboxylic acid, 5-[[[[2-[[[bis(4-methoxyphenyl)methyl]amino]carbonyl]phenyl]methyl]-2-propen-1-ylamino]methyl]- [ACD/Index Name]
5-{[(2-{[bis(4-Methoxyphenyl)methyl]carbamoyl}benzyl)(Prop-2-En-1-Yl)amino]methyl}-1,3-Benzodioxole-4-Carboxylic Acid
5-{[Allyl(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)amino]methyl}-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-{[Allyl(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-{[allyl(2-{[bis(4-méthoxyphényl)méthyl]carbamoyl}benzyl)amino]méthyl}-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]
O2N

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

Density: 1.3±0.1 g/cm3
Boiling Point: 765.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.5±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 166.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 55.90
ACD/KOC (pH 5.5): 133.81
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 15.25
ACD/KOC (pH 7.4): 36.49
Polar Surface Area: 107 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 471.4±3.0 cm3

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