ChemSpider 2D Image | 1-(2,1,3-Benzothiadiazol-5-ylmethyl)-N-(3-fluorophenyl)-3-piperidinamine | C18H19FN4S

1-(2,1,3-Benzothiadiazol-5-ylmethyl)-N-(3-fluorophenyl)-3-piperidinamine

  • Molecular FormulaC18H19FN4S
  • Average mass342.434 Da
  • Monoisotopic mass342.131439 Da
  • ChemSpider ID22246652

More details:

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

1-(2,1,3-Benzothiadiazol-5-ylmethyl)-N-(3-fluorophenyl)-3-piperidinamine [ACD/IUPAC Name]
1-(2,1,3-Benzothiadiazol-5-ylméthyl)-N-(3-fluorophényl)-3-pipéridinamine [French] [ACD/IUPAC Name]
1-(2,1,3-Benzothiadiazol-5-ylmethyl)-N-(3-fluorphenyl)-3-piperidinamin [German] [ACD/IUPAC Name]
3-Piperidinamine, 1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-(3-fluorophenyl)- [ACD/Index 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: 480.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 244.6±28.7 °C
Index of Refraction: 1.690
Molar Refractivity: 97.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 12.31
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 97.22
ACD/KOC (pH 7.4): 622.52
Polar Surface Area: 69 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 255.0±3.0 cm3

Click to predict properties on the Chemicalize site


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