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

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

  • Molecular FormulaC16H17N9O5S2
  • Average mass479.493 Da
  • Monoisotopic mass479.079407 Da
  • ChemSpider ID62429065

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2E)-2-[(4-hydroxy-5-methoxy-2-nitrophenyl)methylene]hydrazinyl]-1H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-({5-[(2E)-2-(4-hydroxy-5-methoxy-2-nitrobenzyliden)hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamid [German] [ACD/IUPAC Name]
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-({5-[(2E)-2-(4-hydroxy-5-methoxy-2-nitrobenzylidene)hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ACD/IUPAC Name]
N-(5-Éthyl-1,3,4-thiadiazol-2-yl)-2-({5-[(2E)-2-(4-hydroxy-5-méthoxy-2-nitrobenzylidène)hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.793
Molar Refractivity: 117.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 89.64
ACD/KOC (pH 5.5): 862.47
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 18.76
ACD/KOC (pH 7.4): 180.51
Polar Surface Area: 250 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 80.4±7.0 dyne/cm
Molar Volume: 275.7±7.0 cm3

Click to predict properties on the Chemicalize site


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