ChemSpider 2D Image | 1-(1,2-Benzoxazol-3-yl)-N-[3,3,3-trifluoro-2-(1-piperazinyl)propyl]methanesulfonamide | C15H19F3N4O3S

1-(1,2-Benzoxazol-3-yl)-N-[3,3,3-trifluoro-2-(1-piperazinyl)propyl]methanesulfonamide

  • Molecular FormulaC15H19F3N4O3S
  • Average mass392.397 Da
  • Monoisotopic mass392.113007 Da
  • ChemSpider ID63946673

More details:

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

1-(1,2-Benzoxazol-3-yl)-N-[3,3,3-trifluor-2-(1-piperazinyl)propyl]methansulfonamid [German] [ACD/IUPAC Name]
1-(1,2-Benzoxazol-3-yl)-N-[3,3,3-trifluoro-2-(1-piperazinyl)propyl]methanesulfonamide [ACD/IUPAC Name]
1-(1,2-Benzoxazol-3-yl)-N-[3,3,3-trifluoro-2-(1-pipérazinyl)propyl]méthanesulfonamide [French] [ACD/IUPAC Name]
1,2-Benzisoxazole-3-methanesulfonamide, N-[3,3,3-trifluoro-2-(1-piperazinyl)propyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 525.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.8±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 2.04
ACD/KOC (pH 7.4): 33.31
Polar Surface Area: 96 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 279.2±3.0 cm3

Click to predict properties on the Chemicalize site


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