ChemSpider 2D Image | N-(4-Methoxy-1,3-benzothiazol-2-yl)-2-[(trifluoromethyl)sulfonyl]nicotinamide | C15H10F3N3O4S2

N-(4-Methoxy-1,3-benzothiazol-2-yl)-2-[(trifluoromethyl)sulfonyl]nicotinamide

  • Molecular FormulaC15H10F3N3O4S2
  • Average mass417.383 Da
  • Monoisotopic mass417.006470 Da
  • ChemSpider ID34342968

More details:

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

3-Pyridinecarboxamide, N-(4-methoxy-2-benzothiazolyl)-2-[(trifluoromethyl)sulfonyl]- [ACD/Index Name]
N-(4-Methoxy-1,3-benzothiazol-2-yl)-2-[(trifluormethyl)sulfonyl]nicotinamid [German] [ACD/IUPAC Name]
N-(4-Methoxy-1,3-benzothiazol-2-yl)-2-[(trifluoromethyl)sulfonyl]nicotinamide [ACD/IUPAC Name]
N-(4-Méthoxy-1,3-benzothiazol-2-yl)-2-[(trifluorométhyl)sulfonyl]nicotinamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 180.49
ACD/KOC (pH 5.5): 1266.06
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 8.89
ACD/KOC (pH 7.4): 62.34
Polar Surface Area: 135 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 260.5±3.0 cm3

Click to predict properties on the Chemicalize site


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