ChemSpider 2D Image | 2-({4-Amino-5-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide | C20H21N7O5S

2-({4-Amino-5-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

  • Molecular FormulaC20H21N7O5S
  • Average mass471.490 Da
  • Monoisotopic mass471.132477 Da
  • ChemSpider ID62435205

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({4-Amino-5-[(2E)-2-(2-hydroxy-3-methoxybenzyliden)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamid [German] [ACD/IUPAC Name]
2-({4-Amino-5-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide [ACD/IUPAC Name]
2-({4-Amino-5-[(2E)-2-(2-hydroxy-3-méthoxybenzylidène)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylene]hydrazinyl]-4H-1,2,4-triazol-3-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)- [ACD/Index Name]

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: 1.729
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.39
ACD/KOC (pH 5.5): 300.78
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 18.68
ACD/KOC (pH 7.4): 275.65
Polar Surface Area: 183 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 299.0±7.0 cm3

Click to predict properties on the Chemicalize site


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