ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-N'-{(Z)-[4-(2-naphthylmethoxy)phenyl]methylene}-1H-1,2,3-triazole-4-carbohydrazide | C30H31N9O3

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

  • Molecular FormulaC30H31N9O3
  • Average mass565.626 Da
  • Monoisotopic mass565.255005 Da
  • ChemSpider ID101058042

  • 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-(1-azepanylmethyl)-N'-{(Z)-[4-(2-naphthylmethoxy)phenyl]methylen}-1H-1,2,3-triazol-4-carbohydrazid [German] [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-N'-{(Z)-[4-(2-naphthylmethoxy)phenyl]methylene}-1H-1,2,3-triazole-4-carbohydrazide [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-azépanylméthyl)-N'-{(Z)-[4-(2-naphtylméthoxy)phényl]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-[(hexahydro-1H-azepin-1-yl)methyl]-, 2-[(1Z)-[4-(2-naphthalenylmethoxy)phenyl]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: 1.715
Molar Refractivity: 157.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 7.30
ACD/KOC (pH 5.5): 51.70
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 184.07
ACD/KOC (pH 7.4): 1303.78
Polar Surface Area: 150 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 400.4±7.0 cm3

Click to predict properties on the Chemicalize site


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