ChemSpider 2D Image | 3-[(Diphenylmethyl)sulfanyl]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-4H-1,2,4-triazole | C31H28N4O2S2

3-[(Diphenylmethyl)sulfanyl]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-4H-1,2,4-triazole

  • Molecular FormulaC31H28N4O2S2
  • Average mass552.710 Da
  • Monoisotopic mass552.165344 Da
  • ChemSpider ID2858706

More details:

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

3-[(Diphenylmethyl)sulfanyl]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-[(Diphenylmethyl)sulfanyl]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-4H-1,2,4-triazole [ACD/IUPAC Name]
3-[(Diphénylméthyl)sulfanyl]-4-phényl-5-[3-(1-pyrrolidinylsulfonyl)phényl]-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-[(diphenylmethyl)thio]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]- [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: 756.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.3±35.7 °C
Index of Refraction: 1.685
Molar Refractivity: 161.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.53
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 80847.88
ACD/KOC (pH 5.5): 113367.52
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 80848.31
ACD/KOC (pH 7.4): 113368.15
Polar Surface Area: 102 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 425.6±7.0 cm3

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