ChemSpider 2D Image | 5-(2-Chlorophenyl)-6-(4-chlorophenyl)-2-(2,2-difluoropropyl)-1,2,5,8-tetrahydro-3H-pyrazolo[3,4-f][1,4]oxazepin-3-one | C21H17Cl2F2N3O2

5-(2-Chlorophenyl)-6-(4-chlorophenyl)-2-(2,2-difluoropropyl)-1,2,5,8-tetrahydro-3H-pyrazolo[3,4-f][1,4]oxazepin-3-one

  • Molecular FormulaC21H17Cl2F2N3O2
  • Average mass452.281 Da
  • Monoisotopic mass451.066589 Da
  • ChemSpider ID29340657

More details:

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

3H-Pyrazolo[3,4-f][1,4]oxazepin-3-one, 5-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2,2-difluoropropyl)-1,2,5,8-tetrahydro- [ACD/Index Name]
5-(2-Chlorophenyl)-6-(4-chlorophenyl)-2-(2,2-difluoropropyl)-1,2,5,8-tetrahydro-3H-pyrazolo[3,4-f][1,4]oxazepin-3-one [ACD/IUPAC Name]
5-(2-Chlorophényl)-6-(4-chlorophényl)-2-(2,2-difluoropropyl)-1,2,5,8-tétrahydro-3H-pyrazolo[3,4-f][1,4]oxazépin-3-one [French] [ACD/IUPAC Name]
5-(2-Chlorphenyl)-6-(4-chlorphenyl)-2-(2,2-difluorpropyl)-1,2,5,8-tetrahydro-3H-pyrazolo[3,4-f][1,4]oxazepin-3-on [German] [ACD/IUPAC Name]
2H-Pyrazolo[3,4-f][1,4]oxazepin-8(5H)-one,2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-6,7-dihydro-
851728-60-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 533.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.3±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 484.82
ACD/KOC (pH 5.5): 2464.04
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 862.14
ACD/KOC (pH 7.4): 4381.75
Polar Surface Area: 54 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 309.3±7.0 cm3

Click to predict properties on the Chemicalize site


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