ChemSpider 2D Image | 1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-1-isobutyl-3-[2-(tetrahydro-2H-pyran-2-ylmethoxy)phenyl]urea | C25H33FN2O4

1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-1-isobutyl-3-[2-(tetrahydro-2H-pyran-2-ylmethoxy)phenyl]urea

  • Molecular FormulaC25H33FN2O4
  • Average mass444.539 Da
  • Monoisotopic mass444.242432 Da
  • ChemSpider ID30279776

More details:

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

1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-1-isobutyl-3-[2-(tetrahydro-2H-pyran-2-ylmethoxy)phenyl]urea [ACD/IUPAC Name]
1-[2-(4-Fluorophényl)-2-hydroxyéthyl]-1-isobutyl-3-[2-(tétrahydro-2H-pyran-2-ylméthoxy)phényl]urée [French] [ACD/IUPAC Name]
1-[2-(4-Fluorphenyl)-2-hydroxyethyl]-1-isobutyl-3-[2-(tetrahydro-2H-pyran-2-ylmethoxy)phenyl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-N'-[2-[(tetrahydro-2H-pyran-2-yl)methoxy]phenyl]- [ACD/Index Name]
3-[2-(4-FLUOROPHENYL)-2-HYDROXYETHYL]-3-(2-METHYLPROPYL)-1-[2-(OXAN-2-YLMETHOXY)PHENYL]UREA
3-[2-(4-FLUOROPHENYL)-2-HYDROXYETHYL]-3-(2-METHYLPROPYL)-1-{2-[(OXAN-2-YL)METHOXY]PHENYL}UREA

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.8±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 122.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 527.76
ACD/KOC (pH 5.5): 3092.57
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 527.78
ACD/KOC (pH 7.4): 3092.68
Polar Surface Area: 71 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 373.4±3.0 cm3

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