ChemSpider 2D Image | N-(4-Bromophenyl)-2-{[1-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide | C17H21BrN4OS

N-(4-Bromophenyl)-2-{[1-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

  • Molecular FormulaC17H21BrN4OS
  • Average mass409.344 Da
  • Monoisotopic mass408.061951 Da
  • ChemSpider ID30657665

More details:

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

Acetamide, N-(4-bromophenyl)-2-[[1-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(4-Bromophenyl)-2-{[1-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(4-Bromophényl)-2-{[1-(cyclohexylméthyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-(4-Bromphenyl)-2-{[1-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1872.46
ACD/KOC (pH 5.5): 7655.38
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1872.74
ACD/KOC (pH 7.4): 7656.53
Polar Surface Area: 85 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 270.0±7.0 cm3

Click to predict properties on the Chemicalize site


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