ChemSpider 2D Image | 3-(azepan-1-ylcarbonyl)-1H-4,1,2-benzothiadiazine 4,4-dioxide | C14H17N3O3S

3-(azepan-1-ylcarbonyl)-1H-4,1,2-benzothiadiazine 4,4-dioxide

  • Molecular FormulaC14H17N3O3S
  • Average mass307.368 Da
  • Monoisotopic mass307.099060 Da
  • ChemSpider ID25953407

More details:

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

1251698-96-0 [RN]
1-Azepanyl(4,4-dioxido-1H-4,1,2-benzothiadiazin-3-yl)methanon [German] [ACD/IUPAC Name]
1-Azepanyl(4,4-dioxido-1H-4,1,2-benzothiadiazin-3-yl)methanone [ACD/IUPAC Name]
1-Azépanyl(4,4-dioxydo-1H-4,1,2-benzothiadiazin-3-yl)méthanone [French] [ACD/IUPAC Name]
3-(azepan-1-ylcarbonyl)-1H-4,1,2-benzothiadiazine 4,4-dioxide
Methanone, (4,4-dioxido-1H-4,1,2-benzothiadiazin-3-yl)(hexahydro-1H-azepin-1-yl)- [ACD/Index Name]
[1251698-96-0] [RN]
3-(azepane-1-carbonyl)-1H-4λ6,1,2-benzothiadiazine-4,4-dione
azepan-1-yl(4,4-dioxido-1H-4,1,2-benzothiadiazin-3-yl)methanone
azepan-1-yl(4,4-dioxido-1H-benzo[e][1,3,4]thiadiazin-3-yl)methanone
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 497.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.4±24.0 °C
Index of Refraction: 1.687
Molar Refractivity: 80.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.76
ACD/KOC (pH 5.5): 177.80
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.76
ACD/KOC (pH 7.4): 177.80
Polar Surface Area: 87 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 210.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement