ChemSpider 2D Image | N-(1-{5-[(Cyclohexylmethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-2-phenylethyl)-2,5-dimethoxybenzenesulfonamide | C26H34N4O4S2

N-(1-{5-[(Cyclohexylmethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-2-phenylethyl)-2,5-dimethoxybenzenesulfonamide

  • Molecular FormulaC26H34N4O4S2
  • Average mass530.703 Da
  • Monoisotopic mass530.202148 Da
  • ChemSpider ID22182236

More details:

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

Benzenesulfonamide, N-[1-[5-[(cyclohexylmethyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl]-2-phenylethyl]-2,5-dimethoxy- [ACD/Index Name]
N-(1-{5-[(Cyclohexylmethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-2-phenylethyl)-2,5-dimethoxybenzenesulfonamide [ACD/IUPAC Name]
N-(1-{5-[(Cyclohexylméthyl)sulfanyl]-4-méthyl-4H-1,2,4-triazol-3-yl}-2-phényléthyl)-2,5-diméthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
N-(1-{5-[(Cyclohexylmethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-2-phenylethyl)-2,5-dimethoxybenzolsulfonamid [German] [ACD/IUPAC Name]
N-(1-{5-[(cyclohexylmethyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}-2-phenylethyl)-2,5-dimethoxybenzenesulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.7±35.7 °C
Index of Refraction: 1.632
Molar Refractivity: 145.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13228.44
ACD/KOC (pH 5.5): 31010.96
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11491.22
ACD/KOC (pH 7.4): 26938.46
Polar Surface Area: 129 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 406.6±7.0 cm3

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