ChemSpider 2D Image | 1-(3-Bromo-5-fluorobenzyl)-3-[(1-methyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]urea | C19H21BrFN3O

1-(3-Bromo-5-fluorobenzyl)-3-[(1-methyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]urea

  • Molecular FormulaC19H21BrFN3O
  • Average mass406.292 Da
  • Monoisotopic mass405.085205 Da
  • ChemSpider ID30106566

More details:

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

1-(3-Brom-5-fluorbenzyl)-3-[(1-methyl-1,2,3,4-tetrahydro-6-chinolinyl)methyl]harnstoff [German] [ACD/IUPAC Name]
1-(3-Bromo-5-fluorobenzyl)-3-[(1-méthyl-1,2,3,4-tétrahydro-6-quinoléinyl)méthyl]urée [French] [ACD/IUPAC Name]
1-(3-Bromo-5-fluorobenzyl)-3-[(1-methyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]urea [ACD/IUPAC Name]
Urea, N-[(3-bromo-5-fluorophenyl)methyl]-N'-[(1,2,3,4-tetrahydro-1-methyl-6-quinolinyl)methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 617.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.1±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 189.31
ACD/KOC (pH 5.5): 1080.76
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 563.76
ACD/KOC (pH 7.4): 3218.55
Polar Surface Area: 44 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 292.5±3.0 cm3

Click to predict properties on the Chemicalize site


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