ChemSpider 2D Image | 6-(3,4-Difluorobenzoyl)-3-[2-(4-pyridinyl)ethyl]-1,3-benzothiazol-2(3H)-one | C21H14F2N2O2S

6-(3,4-Difluorobenzoyl)-3-[2-(4-pyridinyl)ethyl]-1,3-benzothiazol-2(3H)-one

  • Molecular FormulaC21H14F2N2O2S
  • Average mass396.410 Da
  • Monoisotopic mass396.074402 Da
  • ChemSpider ID21107524

More details:

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

2(3H)-Benzothiazolone, 6-(3,4-difluorobenzoyl)-3-[2-(4-pyridinyl)ethyl]- [ACD/Index Name]
6-(3,4-Difluorbenzoyl)-3-[2-(4-pyridinyl)ethyl]-1,3-benzothiazol-2(3H)-on [German] [ACD/IUPAC Name]
6-(3,4-Difluorobenzoyl)-3-[2-(4-pyridinyl)ethyl]-1,3-benzothiazol-2(3H)-one [ACD/IUPAC Name]
6-(3,4-Difluorobenzoyl)-3-[2-(4-pyridinyl)éthyl]-1,3-benzothiazol-2(3H)-one [French] [ACD/IUPAC Name]
6-(3,4-Difluorobenzoyl)-3-[2-(pyridin-4-yl)ethyl]-1,3-benzothiazol-2(3H)-one
843652-53-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 601.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 317.8±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 102.22
ACD/KOC (pH 5.5): 712.92
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 279.66
ACD/KOC (pH 7.4): 1950.43
Polar Surface Area: 76 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 283.6±3.0 cm3

Click to predict properties on the Chemicalize site


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