ChemSpider 2D Image | N-(2,4-Dimethylphenyl)-2-({5-[(2E)-2-(4-hydroxy-5-methoxy-2-nitrobenzylidene)hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide | C20H21N7O5S

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

  • Molecular FormulaC20H21N7O5S
  • Average mass471.490 Da
  • Monoisotopic mass471.132477 Da
  • ChemSpider ID62364557

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetamide, N-(2,4-dimethylphenyl)-2-[[5-[(2E)-2-[(4-hydroxy-5-methoxy-2-nitrophenyl)methylene]hydrazinyl]-1H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(2,4-Dimethylphenyl)-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-(2,4-Dimethylphenyl)-2-({5-[(2E)-2-(4-hydroxy-5-methoxy-2-nitrobenzylidene)hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ACD/IUPAC Name]
N-(2,4-Diméthylphényl)-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: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 961.53
ACD/KOC (pH 5.5): 4710.10
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 305.44
ACD/KOC (pH 7.4): 1496.23
Polar Surface Area: 196 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 315.3±7.0 cm3

Click to predict properties on the Chemicalize site


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