ChemSpider 2D Image | 2-({4-Allyl-5-[(1-naphthylamino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(3-bromobenzylidene)propanehydrazide | C26H25BrN6OS

2-({4-Allyl-5-[(1-naphthylamino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(3-bromobenzylidene)propanehydrazide

  • Molecular FormulaC26H25BrN6OS
  • Average mass549.485 Da
  • Monoisotopic mass548.099365 Da
  • ChemSpider ID3823433

More details:

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

2-({4-Allyl-5-[(1-naphthylamino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(3-brombenzyliden)propanhydrazid [German] [ACD/IUPAC Name]
2-({4-Allyl-5-[(1-naphthylamino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(3-bromobenzylidene)propanehydrazide [ACD/IUPAC Name]
2-({4-Allyl-5-[(1-naphtylamino)méthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(3-bromobenzylidène)propanehydrazide [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[5-[(1-naphthalenylamino)methyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(3-bromophenyl)methylene]hydrazide [ACD/Index 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: 1.671
Molar Refractivity: 147.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17393.50
ACD/KOC (pH 5.5): 37713.93
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17441.98
ACD/KOC (pH 7.4): 37819.05
Polar Surface Area: 110 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 393.5±7.0 cm3

Click to predict properties on the Chemicalize site


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