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Search term: CYMXZVQAGCGDHU (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid | C21H18N2O5

2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid

  • Molecular FormulaC21H18N2O5
  • Average mass378.378 Da
  • Monoisotopic mass378.121582 Da
  • ChemSpider ID25057438

More details:






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

(2-{[(1-Benzofuran-2-ylcarbonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid [ACD/IUPAC Name]
(2-{[(1-Benzofuran-2-ylcarbonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)essigsäure [German] [ACD/IUPAC Name]
1H-Indole-1-acetic acid, 2-[[(2-benzofuranylcarbonyl)amino]methyl]-5-methoxy- [ACD/Index Name]
2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
Acide (2-{[(1-benzofuran-2-ylcarbonyl)amino]méthyl}-5-méthoxy-1H-indol-1-yl)acétique [French] [ACD/IUPAC Name]
2B5

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

Density: 1.4±0.1 g/cm3
Boiling Point: 711.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 383.8±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 101.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 6.31
ACD/KOC (pH 5.5): 52.90
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 275.9±7.0 cm3

Click to predict properties on the Chemicalize site






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