ChemSpider 2D Image | Methyl 1-(dimethylcarbamoyl)-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzoyl}-1H-indole-4-carboxylate | C28H24FN5O4

Methyl 1-(dimethylcarbamoyl)-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzoyl}-1H-indole-4-carboxylate

  • Molecular FormulaC28H24FN5O4
  • Average mass513.520 Da
  • Monoisotopic mass513.181213 Da
  • ChemSpider ID8800961

More details:

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

1-(Diméthylcarbamoyl)-3-{3-fluoro-4-[(2-méthyl-1H-imidazo[4,5-c]pyridin-1-yl)méthyl]benzoyl}-1H-indole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Indole-4-carboxylic acid, 1-[(dimethylamino)carbonyl]-3-[3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-, methyl ester [ACD/Index Name]
Methyl 1-(dimethylcarbamoyl)-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzoyl}-1H-indole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-(dimethylcarbamoyl)-3-{3-fluor-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzoyl}-1H-indol-4-carboxylat [German] [ACD/IUPAC Name]
1-Dimethylcarbamoyl-3-[3-fluoro-4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL367393/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 742.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 402.8±35.7 °C
Index of Refraction: 1.658
Molar Refractivity: 139.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 22.00
ACD/KOC (pH 5.5): 166.30
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 193.31
ACD/KOC (pH 7.4): 1461.52
Polar Surface Area: 99 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 379.6±7.0 cm3

Click to predict properties on the Chemicalize site


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