ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-N'-{(Z)-[2,5-dimethoxy-4-(methylsulfanyl)phenyl]methylene}-1H-1,2,3-triazole-4-carbohydrazide | C22H29N9O4S

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

  • Molecular FormulaC22H29N9O4S
  • Average mass515.589 Da
  • Monoisotopic mass515.206299 Da
  • ChemSpider ID101057945

  • 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)-[2,5-dimethoxy-4-(methylsulfanyl)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)-[2,5-dimethoxy-4-(methylsulfanyl)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)-[2,5-diméthoxy-4-(méthylsulfanyl)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)-[2,5-dimethoxy-4-(methylthio)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: 1.699
Molar Refractivity: 134.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.18
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.05
ACD/KOC (pH 7.4): 126.64
Polar Surface Area: 184 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 347.5±7.0 cm3

Click to predict properties on the Chemicalize site


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