ChemSpider 2D Image | 6-Chloro-N-(5-pyrimidinyl)-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzoxazole-7-carboxamide | C19H11ClF3N5O2

6-Chloro-N-(5-pyrimidinyl)-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzoxazole-7-carboxamide

  • Molecular FormulaC19H11ClF3N5O2
  • Average mass433.771 Da
  • Monoisotopic mass433.055328 Da
  • ChemSpider ID24704813

More details:






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

1,2-Benzisoxazole-7-carboxamide, 6-chloro-N-5-pyrimidinyl-3-[[3-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]
6-Chlor-N-(5-pyrimidinyl)-3-{[3-(trifluormethyl)phenyl]amino}-1,2-benzoxazol-7-carboxamid [German] [ACD/IUPAC Name]
6-Chloro-N-(5-pyrimidinyl)-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzoxazole-7-carboxamide [ACD/IUPAC Name]
6-Chloro-N-(5-pyrimidinyl)-3-{[3-(trifluorométhyl)phényl]amino}-1,2-benzoxazole-7-carboxamide [French] [ACD/IUPAC Name]
6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide
6-chloro-N-(pyrimidin-5-yl)-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzoxazole-7-carboxamide
A96

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

Density: 1.6±0.1 g/cm3
Boiling Point: 534.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.8±30.1 °C
Index of Refraction: 1.680
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 379.29
ACD/KOC (pH 5.5): 2441.04
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 369.27
ACD/KOC (pH 7.4): 2376.54
Polar Surface Area: 93 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 276.4±3.0 cm3

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