ChemSpider 2D Image | 3-({4-Amino-5-[(2E)-2-(3,4,5-trimethoxybenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)propanamide | C21H26N8O6S2

3-({4-Amino-5-[(2E)-2-(3,4,5-trimethoxybenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)propanamide

  • Molecular FormulaC21H26N8O6S2
  • Average mass550.611 Da
  • Monoisotopic mass550.141663 Da
  • ChemSpider ID68844424

  • Double-bond stereo - Double-bond stereo

More details:

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

3-({4-Amino-5-[(2E)-2-(3,4,5-trimethoxybenzyliden)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)propanamid [German] [ACD/IUPAC Name]
3-({4-Amino-5-[(2E)-2-(3,4,5-trimethoxybenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)propanamide [ACD/IUPAC Name]
3-({4-Amino-5-[(2E)-2-(3,4,5-triméthoxybenzylidène)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphényl)propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[4-(aminosulfonyl)phenyl]-3-[[4-amino-5-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylene]hydrazinyl]-4H-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: 1.681
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.29
ACD/KOC (pH 5.5): 98.65
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.29
ACD/KOC (pH 7.4): 98.51
Polar Surface Area: 232 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 361.4±7.0 cm3

Click to predict properties on the Chemicalize site


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