ChemSpider 2D Image | 3-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-[(4,6-dimethyl-2-pyrimidinyl)carbamothioyl]benzamide | C21H16ClF3N4O2S

3-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-[(4,6-dimethyl-2-pyrimidinyl)carbamothioyl]benzamide

  • Molecular FormulaC21H16ClF3N4O2S
  • Average mass480.891 Da
  • Monoisotopic mass480.063446 Da
  • ChemSpider ID21125977

More details:

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

3-[2-Chlor-4-(trifluormethyl)phenoxy]-N-[(4,6-dimethyl-2-pyrimidinyl)carbamothioyl]benzamid [German] [ACD/IUPAC Name]
3-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-[(4,6-dimethyl-2-pyrimidinyl)carbamothioyl]benzamide [ACD/IUPAC Name]
3-[2-Chloro-4-(trifluorométhyl)phénoxy]-N-[(4,6-diméthyl-2-pyrimidinyl)carbamothioyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[[(4,6-dimethyl-2-pyrimidinyl)amino]thioxomethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 588.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.8±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.24
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 337.8±7.0 cm3

Click to predict properties on the Chemicalize site


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