ChemSpider 2D Image | 2-{[(5E)-4-(4-Ethoxyphenyl)-5-(3H-indol-3-ylidene)-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide | C27H26N6O4S2

2-{[(5E)-4-(4-Ethoxyphenyl)-5-(3H-indol-3-ylidene)-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide

  • Molecular FormulaC27H26N6O4S2
  • Average mass562.663 Da
  • Monoisotopic mass562.145691 Da
  • ChemSpider ID11166252

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(5E)-4-(4-Ethoxyphenyl)-5-(3H-indol-3-yliden)-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamid [German] [ACD/IUPAC Name]
2-{[(5E)-4-(4-Ethoxyphenyl)-5-(3H-indol-3-ylidene)-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide [ACD/IUPAC Name]
2-{[(5E)-4-(4-Éthoxyphényl)-5-(3H-indol-3-ylidène)-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphényl)propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[4-(aminosulfonyl)phenyl]-2-[[(5E)-4-(4-ethoxyphenyl)-4,5-dihydro-5-(3H-indol-3-ylidene)-1H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.713
Molar Refractivity: 151.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 4.94
ACD/KOC (pH 5.5): 39.14
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 106.74
ACD/KOC (pH 7.4): 846.23
Polar Surface Area: 172 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 387.2±7.0 cm3

Click to predict properties on the Chemicalize site


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