Found 84 results

Search term: MF = 'C_{21}H_{16}ClF_{3}N_{4}O_{2}S'
ChemSpider 2D Image | 4-{[4-Chloro-2-(trifluoromethyl)phenyl]amino}-6-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)-5-pyrimidinecarbonitrile | C21H16ClF3N4O2S

4-{[4-Chloro-2-(trifluoromethyl)phenyl]amino}-6-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)-5-pyrimidinecarbonitrile

  • Molecular FormulaC21H16ClF3N4O2S
  • Average mass480.891 Da
  • Monoisotopic mass480.063446 Da
  • ChemSpider ID25255417

More details:

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

4-{[4-Chlor-2-(trifluormethyl)phenyl]amino}-6-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-{[4-Chloro-2-(trifluoromethyl)phenyl]amino}-6-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-{[4-Chloro-2-(trifluorométhyl)phényl]amino}-6-(3,4-diméthoxyphényl)-2-(méthylsulfanyl)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-[[4-chloro-2-(trifluoromethyl)phenyl]amino]-6-(3,4-dimethoxyphenyl)-2-(methylthio)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 579.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.4±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16337.18
ACD/KOC (pH 5.5): 36089.17
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16337.51
ACD/KOC (pH 7.4): 36089.88
Polar Surface Area: 105 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 327.8±5.0 cm3

Click to predict properties on the Chemicalize site


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