ChemSpider 2D Image | 2-Methoxy-6-{[({6-[(4-methoxybenzyl)carbamoyl]-1,3-benzodioxol-5-yl}methyl)(methyl)amino]methyl}benzoic acid | C27H28N2O7

2-Methoxy-6-{[({6-[(4-methoxybenzyl)carbamoyl]-1,3-benzodioxol-5-yl}methyl)(methyl)amino]methyl}benzoic acid

  • Molecular FormulaC27H28N2O7
  • Average mass492.520 Da
  • Monoisotopic mass492.189636 Da
  • ChemSpider ID35035947

More details:

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

2-Methoxy-6-[[[6-[(4-Methoxyphenyl)methylcarbamoyl]-1,3-Benzodioxol-5-Yl]methyl-Methyl-Amino]methyl]benzoic Acid
2-Methoxy-6-{[({6-[(4-methoxybenzyl)carbamoyl]-1,3-benzodioxol-5-yl}methyl)(methyl)amino]methyl}benzoesäure [German] [ACD/IUPAC Name]
2-Methoxy-6-{[({6-[(4-methoxybenzyl)carbamoyl]-1,3-benzodioxol-5-yl}methyl)(methyl)amino]methyl}benzoic acid [ACD/IUPAC Name]
Acide 2-méthoxy-6-{[({6-[(4-méthoxybenzyl)carbamoyl]-1,3-benzodioxol-5-yl}méthyl)(méthyl)amino]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-methoxy-6-[[[[6-[[[(4-methoxyphenyl)methyl]amino]carbonyl]-1,3-benzodioxol-5-yl]methyl]methylamino]methyl]- [ACD/Index Name]
FYM

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 339.8±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.23
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 107 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 379.5±3.0 cm3

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