ChemSpider 2D Image | 1-[(3,4-Dimethylphenyl)sulfonyl]-4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine | C21H24N4O2S

1-[(3,4-Dimethylphenyl)sulfonyl]-4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine

  • Molecular FormulaC21H24N4O2S
  • Average mass396.506 Da
  • Monoisotopic mass396.161987 Da
  • ChemSpider ID44214082

More details:

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

1-[(3,4-Dimethylphenyl)sulfonyl]-4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidin [German] [ACD/IUPAC Name]
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine [ACD/IUPAC Name]
1-[(3,4-Diméthylphényl)sulfonyl]-4-(3-phényl-4H-1,2,4-triazol-4-yl)pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[(3,4-dimethylphenyl)sulfonyl]-4-(3-phenyl-4H-1,2,4-triazol-4-yl)- [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: 611.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.8±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 431.56
ACD/KOC (pH 5.5): 2677.04
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 431.96
ACD/KOC (pH 7.4): 2679.48
Polar Surface Area: 76 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 306.0±7.0 cm3

Click to predict properties on the Chemicalize site


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