ChemSpider 2D Image | [4-(Difluoromethoxy)-3-methoxyphenyl][2-(4-methoxyphenyl)-1-azepanyl]methanone | C22H25F2NO4

[4-(Difluoromethoxy)-3-methoxyphenyl][2-(4-methoxyphenyl)-1-azepanyl]methanone

  • Molecular FormulaC22H25F2NO4
  • Average mass405.435 Da
  • Monoisotopic mass405.175171 Da
  • ChemSpider ID31073243

More details:

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

[4-(Difluormethoxy)-3-methoxyphenyl][2-(4-methoxyphenyl)-1-azepanyl]methanon [German] [ACD/IUPAC Name]
[4-(Difluoromethoxy)-3-methoxyphenyl][2-(4-methoxyphenyl)-1-azepanyl]methanone [ACD/IUPAC Name]
[4-(Difluorométhoxy)-3-méthoxyphényl][2-(4-méthoxyphényl)-1-azépanyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(difluoromethoxy)-3-methoxyphenyl][hexahydro-2-(4-methoxyphenyl)-1H-azepin-1-yl]- [ACD/Index Name]
1-[4-(DIFLUOROMETHOXY)-3-METHOXYBENZOYL]-2-(4-METHOXYPHENYL)AZEPANE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.8±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 311.30
ACD/KOC (pH 5.5): 2119.47
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 311.30
ACD/KOC (pH 7.4): 2119.47
Polar Surface Area: 48 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 339.7±3.0 cm3

Click to predict properties on the Chemicalize site


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