ChemSpider 2D Image | 2-({4-Amino-5-[(2E)-2-(4-hydroxy-3-methoxy-5-nitrobenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide | C16H17N9O5S2

2-({4-Amino-5-[(2E)-2-(4-hydroxy-3-methoxy-5-nitrobenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

  • Molecular FormulaC16H17N9O5S2
  • Average mass479.493 Da
  • Monoisotopic mass479.079407 Da
  • ChemSpider ID68775350

  • 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-(4-hydroxy-3-methoxy-5-nitrobenzyliden)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamid [German] [ACD/IUPAC Name]
2-({4-Amino-5-[(2E)-2-(4-hydroxy-3-methoxy-5-nitrobenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide [ACD/IUPAC Name]
2-({4-Amino-5-[(2E)-2-(4-hydroxy-3-méthoxy-5-nitrobenzylidène)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-méthyl-1,3-thiazol-2-yl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-[(2E)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]hydrazinyl]-4H-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-thiazolyl)- [ACD/Index Name]

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: 1.798
Molar Refractivity: 116.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 45.44
ACD/KOC (pH 5.5): 473.74
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.44
Polar Surface Area: 252 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 83.3±7.0 dyne/cm
Molar Volume: 273.9±7.0 cm3

Click to predict properties on the Chemicalize site


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