ChemSpider 2D Image | 3-{4-Amino-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzenesulfonamide | C19H22FN5O2S2

3-{4-Amino-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzenesulfonamide

  • Molecular FormulaC19H22FN5O2S2
  • Average mass435.539 Da
  • Monoisotopic mass435.119904 Da
  • ChemSpider ID31234040

More details:

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

3-{4-Amino-5-[(3-fluorbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzolsulfonamid [German] [ACD/IUPAC Name]
3-{4-Amino-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzenesulfonamide [ACD/IUPAC Name]
3-{4-Amino-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N,N-diéthylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 3-[4-amino-5-[[(3-fluorophenyl)methyl]thio]-4H-1,2,4-triazol-3-yl]-N,N-diethyl- [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: 648.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.2±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 232.60
ACD/KOC (pH 5.5): 1720.39
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 232.61
ACD/KOC (pH 7.4): 1720.45
Polar Surface Area: 128 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 316.5±7.0 cm3

Click to predict properties on the Chemicalize site


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