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Search term: OIHGHECQZMOUEI-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-N-methyl-1-butanamine | C17H20FN3O2S

3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-N-methyl-1-butanamine

  • Molecular FormulaC17H20FN3O2S
  • Average mass349.423 Da
  • Monoisotopic mass349.126038 Da
  • ChemSpider ID24662540

More details:

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

2,1,3-Benzothiadiazole-1(3H)-propanamine, 3-(2-fluorophenyl)-N,γ-dimethyl-, 2,2-dioxide [ACD/Index Name]
3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-N-methyl-1-butanamine [ACD/IUPAC Name]
3-[3-(2-Fluorophényl)-2,2-dioxydo-2,1,3-benzothiadiazol-1(3H)-yl]-N-méthyl-1-butanamine [French] [ACD/IUPAC Name]
3-[3-(2-Fluorphenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-N-methyl-1-butanamin [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.5±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 92.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 61 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 269.6±3.0 cm3

Click to predict properties on the Chemicalize site


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