ChemSpider 2D Image | N-{[4-Methyl-5-({2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-furamide | C17H18N6O5S2

N-{[4-Methyl-5-({2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-furamide

  • Molecular FormulaC17H18N6O5S2
  • Average mass450.492 Da
  • Monoisotopic mass450.078003 Da
  • ChemSpider ID24583069

More details:

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

2-Furancarboxamide, N-[[5-[[2-[[4-(aminosulfonyl)phenyl]amino]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]- [ACD/Index Name]
N-{[4-Methyl-5-({2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-furamid [German] [ACD/IUPAC Name]
N-{[4-Methyl-5-({2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-furamide [ACD/IUPAC Name]
N-{[4-Méthyl-5-({2-oxo-2-[(4-sulfamoylphényl)amino]éthyl}sulfanyl)-4H-1,2,4-triazol-3-yl]méthyl}-2-furamide [French] [ACD/IUPAC Name]
N-{[5-({2-[4-(aminosulfonyl)anilino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-furamide

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: 1.724
Molar Refractivity: 111.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.89
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.83
Polar Surface Area: 196 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 71.6±7.0 dyne/cm
Molar Volume: 281.9±7.0 cm3

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