ChemSpider 2D Image | 2-{[4-Amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide | C18H24BrN5OS

2-{[4-Amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide

  • Molecular FormulaC18H24BrN5OS
  • Average mass438.385 Da
  • Monoisotopic mass437.088470 Da
  • ChemSpider ID62464466

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-{[4-Amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide [ACD/IUPAC Name]
2-{[4-Amino-5-(2-bromophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1R,2R,3R)-2,3-diméthylcyclohexyl]acétamide [French] [ACD/IUPAC Name]
2-{[4-Amino-5-(2-bromphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.701
Molar Refractivity: 108.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 525.65
ACD/KOC (pH 5.5): 3083.74
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 525.66
ACD/KOC (pH 7.4): 3083.78
Polar Surface Area: 111 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 281.1±7.0 cm3

Click to predict properties on the Chemicalize site


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