ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-{(Z)-[2-(4-pentylbenzoyl)-1-benzofuran-5-yl]methylene}-1H-1,2,3-triazole-4-carbohydrazide | C31H35N9O4

1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-{(Z)-[2-(4-pentylbenzoyl)-1-benzofuran-5-yl]methylene}-1H-1,2,3-triazole-4-carbohydrazide

  • Molecular FormulaC31H35N9O4
  • Average mass597.667 Da
  • Monoisotopic mass597.281189 Da
  • ChemSpider ID101051540

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-{(Z)-[2-(4-pentylbenzoyl)-1-benzofuran-5-yl]methylen}-1H-1,2,3-triazol-4-carbohydrazid [German] [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-{(Z)-[2-(4-pentylbenzoyl)-1-benzofuran-5-yl]methylene}-1H-1,2,3-triazole-4-carbohydrazide [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(diéthylamino)méthyl]-N'-{(Z)-[2-(4-pentylbenzoyl)-1-benzofuran-5-yl]méthylène}-1H-1,2,3-triazole-4-carbohydrazide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-, 2-[(1Z)-[2-(4-pentylbenzoyl)-5-benzofuranyl]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: 1.673
Molar Refractivity: 164.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 14.73
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 142.43
ACD/KOC (pH 7.4): 748.69
Polar Surface Area: 171 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 439.5±7.0 cm3

Click to predict properties on the Chemicalize site


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