ChemSpider 2D Image | N'-{(Z)-[4-(Allyloxy)-3-iodo-5-methoxyphenyl]methylene}-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-1H-1,2,3-triazole-4-carbohydrazide | C23H28IN9O4

N'-{(Z)-[4-(Allyloxy)-3-iodo-5-methoxyphenyl]methylene}-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

  • Molecular FormulaC23H28IN9O4
  • Average mass621.431 Da
  • Monoisotopic mass621.130859 Da
  • ChemSpider ID101059045

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(hexahydro-1H-azepin-1-yl)methyl]-, 2-[(1Z)-[3-iodo-5-methoxy-4-(2-propen-1-yloxy)phenyl]methylene]hydrazide [ACD/Index Name]
N'-{(Z)-[4-(Allyloxy)-3-iod-5-methoxyphenyl]methylen}-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-1H-1,2,3-triazol-4-carbohydrazid [German] [ACD/IUPAC Name]
N'-{(Z)-[4-(Allyloxy)-3-iodo-5-methoxyphenyl]methylene}-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-1H-1,2,3-triazole-4-carbohydrazide [ACD/IUPAC Name]
N'-{(Z)-[4-(Allyloxy)-3-iodo-5-méthoxyphényl]méthylène}-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azépanylméthyl)-1H-1,2,3-triazole-4-carbohydrazide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.711
Molar Refractivity: 143.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.29
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 16.01
ACD/KOC (pH 7.4): 227.77
Polar Surface Area: 159 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 367.5±7.0 cm3

Click to predict properties on the Chemicalize site


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