ChemSpider 2D Image | 1-{4-[(2,6-Dimethyl-4-morpholinyl)methyl]benzyl}-3-[3-(trifluoromethyl)phenyl]thiourea | C22H26F3N3OS

1-{4-[(2,6-Dimethyl-4-morpholinyl)methyl]benzyl}-3-[3-(trifluoromethyl)phenyl]thiourea

  • Molecular FormulaC22H26F3N3OS
  • Average mass437.522 Da
  • Monoisotopic mass437.174866 Da
  • ChemSpider ID70977589

More details:

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

1-{4-[(2,6-Dimethyl-4-morpholinyl)methyl]benzyl}-3-[3-(trifluormethyl)phenyl]thioharnstoff [German] [ACD/IUPAC Name]
1-{4-[(2,6-Dimethyl-4-morpholinyl)methyl]benzyl}-3-[3-(trifluoromethyl)phenyl]thiourea [ACD/IUPAC Name]
1-{4-[(2,6-Diméthyl-4-morpholinyl)méthyl]benzyl}-3-[3-(trifluorométhyl)phényl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[[4-[(2,6-dimethyl-4-morpholinyl)methyl]phenyl]methyl]-N'-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 497.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.4±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 116.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 152.38
ACD/KOC (pH 5.5): 598.21
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1850.11
ACD/KOC (pH 7.4): 7263.03
Polar Surface Area: 69 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 350.8±3.0 cm3

Click to predict properties on the Chemicalize site


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