ChemSpider 2D Image | N-(4-Nitrophenyl)-2-[(3-{2-[(phenylsulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide | C21H19N7O5S2

N-(4-Nitrophenyl)-2-[(3-{2-[(phenylsulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide

  • Molecular FormulaC21H19N7O5S2
  • Average mass513.549 Da
  • Monoisotopic mass513.088928 Da
  • ChemSpider ID21075885

More details:

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

Acetamide, N-(4-nitrophenyl)-2-[[3-[2-[(phenylsulfonyl)amino]ethyl]-1,2,4-triazolo[4,3-b]pyridazin-6-yl]thio]- [ACD/Index Name]
N-(4-Nitrophenyl)-2-[(3-{2-[(phenylsulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
N-(4-Nitrophenyl)-2-[(3-{2-[(phenylsulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide [ACD/IUPAC Name]
N-(4-Nitrophényl)-2-[(3-{2-[(phénylsulfonyl)amino]éthyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acétamide [French] [ACD/IUPAC Name]
N-(4-nitrophenyl)-2-((3-(2-(phenylsulfonamido)ethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide

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: 1.741
Molar Refractivity: 132.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.41
ACD/KOC (pH 5.5): 551.09
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.35
ACD/KOC (pH 7.4): 550.35
Polar Surface Area: 198 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 73.6±7.0 dyne/cm
Molar Volume: 327.9±7.0 cm3

Click to predict properties on the Chemicalize site


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