ChemSpider 2D Image | N-[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-1-methyl-1H-1,2,4-triazol-5-yl]-3,5-dinitrobenzamide | C17H19N7O7

N-[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-1-methyl-1H-1,2,4-triazol-5-yl]-3,5-dinitrobenzamide

  • Molecular FormulaC17H19N7O7
  • Average mass433.375 Da
  • Monoisotopic mass433.134583 Da
  • ChemSpider ID123170849

More details:

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

Benzamide, N-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-methyl-1H-1,2,4-triazol-5-yl]-3,5-dinitro- [ACD/Index Name]
N-[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-1-methyl-1H-1,2,4-triazol-5-yl]-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-1-methyl-1H-1,2,4-triazol-5-yl]-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-[3-(1,4-Dioxa-8-azaspiro[4.5]déc-8-yl)-1-méthyl-1H-1,2,4-triazol-5-yl]-3,5-dinitrobenzamide [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: 1.749
Molar Refractivity: 103.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.60
ACD/KOC (pH 5.5): 112.98
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.75
ACD/KOC (pH 7.4): 136.37
Polar Surface Area: 173 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 81.8±7.0 dyne/cm
Molar Volume: 253.2±7.0 cm3

Click to predict properties on the Chemicalize site


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