ChemSpider 2D Image | 1-{[4-(3-Bromophenyl)tetrahydro-2H-pyran-4-yl]methyl}-3-[(5-bromo-2-thienyl)methyl]urea | C18H20Br2N2O2S

1-{[4-(3-Bromophenyl)tetrahydro-2H-pyran-4-yl]methyl}-3-[(5-bromo-2-thienyl)methyl]urea

  • Molecular FormulaC18H20Br2N2O2S
  • Average mass488.237 Da
  • Monoisotopic mass485.961212 Da
  • ChemSpider ID48108740

More details:

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

1-{[4-(3-Bromophenyl)tetrahydro-2H-pyran-4-yl]methyl}-3-[(5-bromo-2-thienyl)methyl]urea [ACD/IUPAC Name]
1-{[4-(3-Bromophényl)tétrahydro-2H-pyran-4-yl]méthyl}-3-[(5-bromo-2-thiényl)méthyl]urée [French] [ACD/IUPAC Name]
1-{[4-(3-Bromphenyl)tetrahydro-2H-pyran-4-yl]methyl}-3-[(5-brom-2-thienyl)methyl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-[[4-(3-bromophenyl)tetrahydro-2H-pyran-4-yl]methyl]-N'-[(5-bromo-2-thienyl)methyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 630.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.3±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 108.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1413.71
ACD/KOC (pH 5.5): 6260.74
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1413.66
ACD/KOC (pH 7.4): 6260.55
Polar Surface Area: 79 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 311.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement