ChemSpider 2D Image | N-[5-(Ethylsulfanyl)-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 | C16H17N9O5S3

N-[5-(Ethylsulfanyl)-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 FormulaC16H17N9O5S3
  • Average mass511.559 Da
  • Monoisotopic mass511.051483 Da
  • ChemSpider ID62443171

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetamide, N-[5-(ethylthio)-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-(Ethylsulfanyl)-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-(Ethylsulfanyl)-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-(Éthylsulfanyl)-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: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.807
Molar Refractivity: 124.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 262.01
ACD/KOC (pH 5.5): 1856.84
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 35.04
ACD/KOC (pH 7.4): 248.30
Polar Surface Area: 275 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 82.7±7.0 dyne/cm
Molar Volume: 290.2±7.0 cm3

Click to predict properties on the Chemicalize site


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