ChemSpider 2D Image | 1-(4-Bromo-2-fluorobenzyl)-3-cyclopropyl-1-(2-pyridinylmethyl)urea | C17H17BrFN3O

1-(4-Bromo-2-fluorobenzyl)-3-cyclopropyl-1-(2-pyridinylmethyl)urea

  • Molecular FormulaC17H17BrFN3O
  • Average mass378.239 Da
  • Monoisotopic mass377.053894 Da
  • ChemSpider ID30099390

More details:

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

1-(4-Brom-2-fluorbenzyl)-3-cyclopropyl-1-(2-pyridinylmethyl)harnstoff [German] [ACD/IUPAC Name]
1-(4-Bromo-2-fluorobenzyl)-3-cyclopropyl-1-(2-pyridinylmethyl)urea [ACD/IUPAC Name]
1-(4-Bromo-2-fluorobenzyl)-3-cyclopropyl-1-(2-pyridinylméthyl)urée [French] [ACD/IUPAC Name]
Urea, N-[(4-bromo-2-fluorophenyl)methyl]-N'-cyclopropyl-N-(2-pyridinylmethyl)- [ACD/Index Name]
1-[(4-BROMO-2-FLUOROPHENYL)METHYL]-3-CYCLOPROPYL-1-(PYRIDIN-2-YLMETHYL)UREA
1-[(4-BROMO-2-FLUOROPHENYL)METHYL]-3-CYCLOPROPYL-1-[(PYRIDIN-2-YL)METHYL]UREA

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

Density: 1.5±0.1 g/cm3
Boiling Point: 567.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.0±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 79.38
ACD/KOC (pH 5.5): 774.76
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.53
ACD/KOC (pH 7.4): 854.38
Polar Surface Area: 45 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 251.8±5.0 cm3

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