ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[3,4-bis(octyloxy)phenyl]methylene}-5-(4-morpholinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide | C33H51N9O5

1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[3,4-bis(octyloxy)phenyl]methylene}-5-(4-morpholinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

  • Molecular FormulaC33H51N9O5
  • Average mass653.815 Da
  • Monoisotopic mass653.401306 Da
  • ChemSpider ID101056035

  • 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)-N'-{(Z)-[3,4-bis(octyloxy)phenyl]methylen}-5-(4-morpholinylmethyl)-1H-1,2,3-triazol-4-carbohydrazid [German] [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[3,4-bis(octyloxy)phenyl]methylene}-5-(4-morpholinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[3,4-bis(octyloxy)phényl]méthylène}-5-(4-morpholinylméthyl)-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-(4-morpholinylmethyl)-, 2-[(1Z)-[3,4-bis(octyloxy)phenyl]methylene]hydrazide [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 178.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17049.28
ACD/KOC (pH 5.5): 36049.80
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18968.14
ACD/KOC (pH 7.4): 40107.11
Polar Surface Area: 168 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 516.6±7.0 cm3

Click to predict properties on the Chemicalize site


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