ChemSpider 2D Image | 2-{[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4-sulfamoylphenyl)acetamide | C23H19BrClN5O3S2

2-{[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4-sulfamoylphenyl)acetamide

  • Molecular FormulaC23H19BrClN5O3S2
  • Average mass592.916 Da
  • Monoisotopic mass590.980103 Da
  • ChemSpider ID9694739

More details:

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

2-{[5-Brom-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlor-4-sulfamoylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4-sulfamoylphenyl)acetamide [ACD/IUPAC Name]
2-{[5-Bromo-4-(4-cyclopropyl-1-naphtyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4-sulfamoylphényl)acétamide [French] [ACD/IUPAC Name]
2-{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4-sulfamoylphenyl)acetamide
Acetamide, N-[4-(aminosulfonyl)-2-chlorophenyl]-2-[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
{2-[5-bromo-4-(4-cyclopropylnapthalen-1-yl)-4H-1,2,4-triazol-3-ylthio]-N-(2-chloro-4-sulfamoylphenyl)acetamide}
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL373571/
VRX-480773

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.785
Molar Refractivity: 141.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3046.17
ACD/KOC (pH 5.5): 10845.71
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3029.72
ACD/KOC (pH 7.4): 10787.13
Polar Surface Area: 154 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 335.5±7.0 cm3

Click to predict properties on the Chemicalize site


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