ChemSpider 2D Image | 3-{3-[(6-Bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid | C22H22BrN3O4

3-{3-[(6-Bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid

  • Molecular FormulaC22H22BrN3O4
  • Average mass472.332 Da
  • Monoisotopic mass471.079376 Da
  • ChemSpider ID30811848

More details:






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

1H-Benzimidazole-1-propanoic acid, 3-[(6-bromo-2,3-dihydro-2-oxo-1H-indol-4-yl)methyl]-2,3-dihydro-2-oxo-β-propyl- [ACD/Index Name]
3-{3-[(6-Brom-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexansäure [German] [ACD/IUPAC Name]
3-{3-[(6-Bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid [ACD/IUPAC Name]
Acide 3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)méthyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoïque [French] [ACD/IUPAC Name]

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

10.1021/jm400138z [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 661.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.6±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 113.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 58.26
ACD/KOC (pH 5.5): 288.75
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.70
Polar Surface Area: 90 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 309.5±3.0 cm3

Click to predict properties on the Chemicalize site






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