ChemSpider 2D Image | 2-{[4-Amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}acetamide | C21H24BrN7O3S2

2-{[4-Amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}acetamide

  • Molecular FormulaC21H24BrN7O3S2
  • Average mass566.494 Da
  • Monoisotopic mass565.056519 Da
  • ChemSpider ID68799236

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-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}acetamide [ACD/IUPAC Name]
2-{[4-Amino-5-(2-bromophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(4-méthyl-1-pipérazinyl)sulfonyl]phényl}acétamide [French] [ACD/IUPAC Name]
2-{[4-Amino-5-(2-bromphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]- [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: 1.736
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 7.10
ACD/KOC (pH 5.5): 88.58
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.12
ACD/KOC (pH 7.4): 438.09
Polar Surface Area: 160 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 68.4±7.0 dyne/cm
Molar Volume: 343.3±7.0 cm3

Click to predict properties on the Chemicalize site


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