ChemSpider 2D Image | 2-Amino-8-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,5,7,8-tetrahydro-6H-[1,3]thiazolo[4,5-c]azepin-6-one | C14H11F2N3O3S

2-Amino-8-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,5,7,8-tetrahydro-6H-[1,3]thiazolo[4,5-c]azepin-6-one

  • Molecular FormulaC14H11F2N3O3S
  • Average mass339.317 Da
  • Monoisotopic mass339.048920 Da
  • ChemSpider ID29640899

More details:

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

2-Amino-8-(2,2-difluor-1,3-benzodioxol-5-yl)-4,5,7,8-tetrahydro-6H-[1,3]thiazolo[4,5-c]azepin-6-on [German] [ACD/IUPAC Name]
2-Amino-8-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,5,7,8-tetrahydro-6H-[1,3]thiazolo[4,5-c]azepin-6-one [ACD/IUPAC Name]
2-Amino-8-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,5,7,8-tétrahydro-6H-[1,3]thiazolo[4,5-c]azépin-6-one [French] [ACD/IUPAC Name]
6H-Thiazolo[4,5-c]azepin-6-one, 2-amino-8-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,5,7,8-tetrahydro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.6±30.1 °C
Index of Refraction: 1.670
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.65
ACD/KOC (pH 5.5): 149.11
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.69
ACD/KOC (pH 7.4): 149.91
Polar Surface Area: 115 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 207.6±5.0 cm3

Click to predict properties on the Chemicalize site


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