ChemSpider 2D Image | 7-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-9-methoxy-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine | C27H24ClF3N4O3

7-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-9-methoxy-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine

  • Molecular FormulaC27H24ClF3N4O3
  • Average mass544.953 Da
  • Monoisotopic mass544.148926 Da
  • ChemSpider ID23053123

More details:

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

1,4-Benzoxazepine, 7-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3,4,5-tetrahydro-9-methoxy-4-[[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]- [ACD/Index Name]
7-[3-Chlor-5-(trifluormethyl)-2-pyridinyl]-9-methoxy-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin [German] [ACD/IUPAC Name]
7-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-9-methoxy-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine [ACD/IUPAC Name]
7-[3-Chloro-5-(trifluorométhyl)-2-pyridinyl]-9-méthoxy-4-{[3-(4-méthoxyphényl)-1H-pyrazol-4-yl]méthyl}-2,3,4,5-tétrahydro-1,4-benzoxazépine [French] [ACD/IUPAC 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: 649.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.8±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 135.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1340.43
ACD/KOC (pH 5.5): 4694.58
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3171.83
ACD/KOC (pH 7.4): 11108.64
Polar Surface Area: 73 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 403.2±3.0 cm3

Click to predict properties on the Chemicalize site


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