ChemSpider 2D Image | 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)-N-[8-fluoro-2-hydroxy-4-(hydroxymethyl)-1,1-dimethyl-1,2,4,5-tetrahydro[1,4]oxazepino[4,5-a]indol-9-yl]cyclopropanecarboxamide | C26H25F3N2O6

1-(2,2-Difluoro-1,3-benzodioxol-5-yl)-N-[8-fluoro-2-hydroxy-4-(hydroxymethyl)-1,1-dimethyl-1,2,4,5-tetrahydro[1,4]oxazepino[4,5-a]indol-9-yl]cyclopropanecarboxamide

  • Molecular FormulaC26H25F3N2O6
  • Average mass518.482 Da
  • Monoisotopic mass518.166443 Da
  • ChemSpider ID81367411

More details:

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

1-(2,2-Difluor-1,3-benzodioxol-5-yl)-N-[8-fluor-2-hydroxy-4-(hydroxymethyl)-1,1-dimethyl-1,2,4,5-tetrahydro[1,4]oxazepino[4,5-a]indol-9-yl]cyclopropancarboxamid [German] [ACD/IUPAC Name]
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)-N-[8-fluoro-2-hydroxy-4-(hydroxymethyl)-1,1-dimethyl-1,2,4,5-tetrahydro[1,4]oxazepino[4,5-a]indol-9-yl]cyclopropanecarboxamide [ACD/IUPAC Name]
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)-N-[8-fluoro-2-hydroxy-4-(hydroxyméthyl)-1,1-diméthyl-1,2,4,5-tétrahydro[1,4]oxazépino[4,5-a]indol-9-yl]cyclopropanecarboxamide [French] [ACD/IUPAC Name]
Cyclopropanecarboxamide, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[8-fluoro-1,2,4,5-tetrahydro-2-hydroxy-4-(hydroxymethyl)-1,1-dimethyl[1,4]oxazepino[4,5-a]indol-9-yl]- [ACD/Index Name]
1432657-04-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 711.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 383.9±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 121.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.34
ACD/KOC (pH 5.5): 1198.28
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.34
ACD/KOC (pH 7.4): 1198.29
Polar Surface Area: 102 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 329.3±7.0 cm3

Click to predict properties on the Chemicalize site


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