ChemSpider 2D Image | 2-({4-Allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(Z)-(3-fluoro-2-nitrophenyl)methylene]acetohydrazide | C25H21FN6O4S

2-({4-Allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(Z)-(3-fluoro-2-nitrophenyl)methylene]acetohydrazide

  • Molecular FormulaC25H21FN6O4S
  • Average mass520.535 Da
  • Monoisotopic mass520.132874 Da
  • ChemSpider ID100378548

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({4-Allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(Z)-(3-fluor-2-nitrophenyl)methylen]acetohydrazid [German] [ACD/IUPAC Name]
2-({4-Allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(Z)-(3-fluoro-2-nitrophenyl)methylene]acetohydrazide [ACD/IUPAC Name]
2-({4-Allyl-5-[(2-naphtyloxy)méthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(Z)-(3-fluoro-2-nitrophényl)méthylène]acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[(2-naphthalenyloxy)methyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-(3-fluoro-2-nitrophenyl)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: 1.663
Molar Refractivity: 139.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6382.26
ACD/KOC (pH 5.5): 18415.74
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6380.35
ACD/KOC (pH 7.4): 18410.24
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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