ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[3,5-diethoxy-4-(1H-pyrrol-1-yl)phenyl]methylene}-5-methyl-1H-1,2,3-triazole-4-carbohydrazide | C21H23N9O4

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

  • Molecular FormulaC21H23N9O4
  • Average mass465.465 Da
  • Monoisotopic mass465.187286 Da
  • ChemSpider ID101078728

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

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 121.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.81
ACD/KOC (pH 5.5): 191.16
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.79
ACD/KOC (pH 7.4): 190.84
Polar Surface Area: 161 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 317.0±7.0 cm3

Click to predict properties on the Chemicalize site


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