ChemSpider 2D Image | 2-Amino-N-(6-methyl-2-heptanyl)-1-(3,4,5-trimethoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | C29H37N5O4

2-Amino-N-(6-methyl-2-heptanyl)-1-(3,4,5-trimethoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

  • Molecular FormulaC29H37N5O4
  • Average mass519.635 Da
  • Monoisotopic mass519.284546 Da
  • ChemSpider ID4075816

More details:






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

1H-Pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-N-(1,5-dimethylhexyl)-1-[(3,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]
2-Amino-N-(6-methyl-2-heptanyl)-1-(3,4,5-trimethoxybenzyl)-1H-pyrrolo[2,3-b]chinoxalin-3-carboxamid [German] [ACD/IUPAC Name]
2-Amino-N-(6-methyl-2-heptanyl)-1-(3,4,5-trimethoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide [ACD/IUPAC Name]
2-Amino-N-(6-méthyl-2-heptanyl)-1-(3,4,5-triméthoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide [French] [ACD/IUPAC Name]
2-Amino-1-(3,4,5-trimethoxy-benzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylic acid (1,5-dimethyl-hexyl)-amide
2-amino-N-(6-methylheptan-2-yl)-1-(3,4,5-trimethoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
2-amino-N-(6-methylheptan-2-yl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
899414-98-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 738.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.5±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 144.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2372.54
ACD/KOC (pH 5.5): 9066.55
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2374.98
ACD/KOC (pH 7.4): 9075.86
Polar Surface Area: 114 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 417.9±7.0 cm3

Click to predict properties on the Chemicalize site






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