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ChemSpider 2D Image | 1-{3-[(4-Fluorophenyl)sulfanyl]propyl}-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea | C14H13F4N3O2S


  • Molecular FormulaC14H13F4N3O2S
  • Average mass363.331 Da
  • Monoisotopic mass363.066467 Da
  • ChemSpider ID33887814

More details:

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

1-{3-[(4-Fluorophenyl)sulfanyl]propyl}-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea [ACD/IUPAC Name]
1-{3-[(4-Fluorophényl)sulfanyl]propyl}-3-[3-(trifluorométhyl)-1,2-oxazol-5-yl]urée [French] [ACD/IUPAC Name]
1-{3-[(4-Fluorphenyl)sulfanyl]propyl}-3-[3-(trifluormethyl)-1,2-oxazol-5-yl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-[3-[(4-fluorophenyl)thio]propyl]-N'-[3-(trifluoromethyl)-5-isoxazolyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 446.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 224.0±28.7 °C
Index of Refraction: 1.551
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.39
ACD/KOC (pH 5.5): 1118.07
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.38
ACD/KOC (pH 7.4): 1117.99
Polar Surface Area: 92 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 253.3±5.0 cm3

Click to predict properties on the Chemicalize site