ChemSpider 2D Image | N-(4-Fluorophenyl)-2-({5-(4-methoxybenzyl)-4-[(E)-(3-nitrobenzylidene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide | C25H21FN6O4S

N-(4-Fluorophenyl)-2-({5-(4-methoxybenzyl)-4-[(E)-(3-nitrobenzylidene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

  • Molecular FormulaC25H21FN6O4S
  • Average mass520.535 Da
  • Monoisotopic mass520.132874 Da
  • ChemSpider ID126463200

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetamide, N-(4-fluorophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-4-[[(1E)-(3-nitrophenyl)methylene]amino]-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(4-Fluorophenyl)-2-({5-(4-methoxybenzyl)-4-[(E)-(3-nitrobenzylidene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ACD/IUPAC Name]
N-(4-Fluorophényl)-2-({5-(4-méthoxybenzyl)-4-[(E)-(3-nitrobenzylidène)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)acétamide [French] [ACD/IUPAC Name]
N-(4-Fluorphenyl)-2-({5-(4-methoxybenzyl)-4-[(E)-(3-nitrobenzyliden)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 139.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2106.42
ACD/KOC (pH 5.5): 8328.61
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2106.64
ACD/KOC (pH 7.4): 8329.48
Polar Surface Area: 153 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 375.7±7.0 cm3

Click to predict properties on the Chemicalize site


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