ChemSpider 2D Image | 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-{4-[(1,3-diethyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl}urea | C24H21ClF3N5O3

1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-{4-[(1,3-diethyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl}urea

  • Molecular FormulaC24H21ClF3N5O3
  • Average mass519.903 Da
  • Monoisotopic mass519.128479 Da
  • ChemSpider ID24719846

More details:

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

1-[4-Chlor-3-(trifluormethyl)phenyl]-3-{4-[(1,3-diethyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl}harnstoff [German] [ACD/IUPAC Name]
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-{4-[(1,3-diethyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl}urea [ACD/IUPAC Name]
1-[4-Chloro-3-(trifluorométhyl)phényl]-3-{4-[(1,3-diéthyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phényl}urée [French] [ACD/IUPAC Name]
Urea, N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[4-[(1,3-diethyl-2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]- [ACD/Index Name]
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(1,3-diethyl-2-oxo-2,3-dihydro-1Himidazo[4,5-b] pyridin-7-yloxy)phenyl)urea
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL521951/
Pyridoimidazolone, 5u

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

Density: 1.4±0.1 g/cm3
Boiling Point: 522.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.5±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 6506.38
ACD/KOC (pH 5.5): 15003.62
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13840.17
ACD/KOC (pH 7.4): 31915.22
Polar Surface Area: 87 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 362.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement