ChemSpider 2D Image | N'-[(Z)-(3-Acetyl-2,4,6-trimethylphenyl)methylene]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-morpholinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide | C22H27N9O4

N'-[(Z)-(3-Acetyl-2,4,6-trimethylphenyl)methylene]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-morpholinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

  • Molecular FormulaC22H27N9O4
  • Average mass481.508 Da
  • Monoisotopic mass481.218597 Da
  • ChemSpider ID101054304

  • 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-(4-morpholinylmethyl)-, 2-[(1Z)-(3-acetyl-2,4,6-trimethylphenyl)methylene]hydrazide [ACD/Index Name]
N'-[(Z)-(3-Acetyl-2,4,6-trimethylphenyl)methylen]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-morpholinylmethyl)-1H-1,2,3-triazol-4-carbohydrazid [German] [ACD/IUPAC Name]
N'-[(Z)-(3-Acetyl-2,4,6-trimethylphenyl)methylene]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-morpholinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide [ACD/IUPAC Name]
N'-[(Z)-(3-Acétyl-2,4,6-triméthylphényl)méthylène]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-morpholinylméthyl)-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: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.706
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.53
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 36.45
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 40.68
Polar Surface Area: 167 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 322.9±7.0 cm3

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