ChemSpider 2D Image | 2-{[4-Allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide | C21H25BrN4OS

2-{[4-Allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide

  • Molecular FormulaC21H25BrN4OS
  • Average mass461.418 Da
  • Monoisotopic mass460.093231 Da
  • ChemSpider ID35141347

More details:

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

2-{[4-Allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide [ACD/IUPAC Name]
2-{[4-Allyl-5-(4-bromophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(1-cyclohexén-1-yl)éthyl]acétamide [French] [ACD/IUPAC Name]
2-{[4-Allyl-5-(4-bromphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(1-cyclohexen-1-yl)ethyl]acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[5-(4-bromophenyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-N-[2-(1-cyclohexen-1-yl)ethyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 120.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 8066.37
ACD/KOC (pH 5.5): 21776.52
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8066.48
ACD/KOC (pH 7.4): 21776.83
Polar Surface Area: 85 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 333.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement