ChemSpider 2D Image | 1-[4-(3-Bromophenyl)tetrahydro-2H-pyran-4-yl]-3-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]urea | C18H23BrN4O3

1-[4-(3-Bromophenyl)tetrahydro-2H-pyran-4-yl]-3-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]urea

  • Molecular FormulaC18H23BrN4O3
  • Average mass423.304 Da
  • Monoisotopic mass422.095337 Da
  • ChemSpider ID30080436

More details:

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

1-[4-(3-Bromophenyl)tetrahydro-2H-pyran-4-yl]-3-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]urea [ACD/IUPAC Name]
1-[4-(3-Bromophényl)tétrahydro-2H-pyran-4-yl]-3-[1-(2-méthoxyéthyl)-1H-pyrazol-4-yl]urée [French] [ACD/IUPAC Name]
1-[4-(3-Bromphenyl)tetrahydro-2H-pyran-4-yl]-3-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-[4-(3-bromophenyl)tetrahydro-2H-pyran-4-yl]-N'-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]- [ACD/Index Name]
1-[4-(3-BROMOPHENYL)OXAN-4-YL]-3-[1-(2-METHOXYETHYL)-1H-PYRAZOL-4-YL]UREA
1-[4-(3-BROMOPHENYL)OXAN-4-YL]-3-[1-(2-METHOXYETHYL)PYRAZOL-4-YL]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: 546.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.1±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 102.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.34
ACD/KOC (pH 5.5): 995.44
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.42
ACD/KOC (pH 7.4): 996.13
Polar Surface Area: 77 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 289.0±7.0 cm3

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