ChemSpider 2D Image | 2-({5-[(2E)-2-(2-Hydroxy-5-nitrobenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide | C16H17N9O5S3

2-({5-[(2E)-2-(2-Hydroxy-5-nitrobenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide

  • Molecular FormulaC16H17N9O5S3
  • Average mass511.559 Da
  • Monoisotopic mass511.051483 Da
  • ChemSpider ID68828468

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({5-[(2E)-2-(2-Hydroxy-5-nitrobenzyliden)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamid [German] [ACD/IUPAC Name]
2-({5-[(2E)-2-(2-Hydroxy-5-nitrobenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide [ACD/IUPAC Name]
2-({5-[(2E)-2-(2-Hydroxy-5-nitrobenzylidène)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-{5-[(2-méthoxyéthyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[5-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylene]hydrazinyl]-4H-1,2,4-triazol-3-yl]thio]-N-[5-[(2-methoxyethyl)thio]-1,3,4-thiadiazol-2-yl]- [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: 1.806
Molar Refractivity: 125.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 80.65
ACD/KOC (pH 5.5): 666.72
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.61
Polar Surface Area: 275 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 84.6±7.0 dyne/cm
Molar Volume: 291.1±7.0 cm3

Click to predict properties on the Chemicalize site


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