ChemSpider 2D Image | 2-[2-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-(4-methoxyphenyl)-6,7-dihydro-3H-imidazo[5,1-c][1,2,4]triazole-3,5(2H)-dione | C20H23N5O6

2-[2-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-(4-methoxyphenyl)-6,7-dihydro-3H-imidazo[5,1-c][1,2,4]triazole-3,5(2H)-dione

  • Molecular FormulaC20H23N5O6
  • Average mass429.427 Da
  • Monoisotopic mass429.164825 Da
  • ChemSpider ID28636642

More details:

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

2-[2-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-(4-methoxyphenyl)-6,7-dihydro-3H-imidazo[5,1-c][1,2,4]triazol-3,5(2H)-dion [German] [ACD/IUPAC Name]
2-[2-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-(4-methoxyphenyl)-6,7-dihydro-3H-imidazo[5,1-c][1,2,4]triazole-3,5(2H)-dione [ACD/IUPAC Name]
2-[2-(1,4-Dioxa-8-azaspiro[4.5]déc-8-yl)-2-oxoéthyl]-6-(4-méthoxyphényl)-6,7-dihydro-3H-imidazo[5,1-c][1,2,4]triazole-3,5(2H)-dione [French] [ACD/IUPAC Name]
3H-Imidazo[5,1-c]-1,2,4-triazole-3,5(2H)-dione, 2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6,7-dihydro-6-(4-methoxyphenyl)- [ACD/Index Name]
2-[2-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-2-oxo-ethyl]-6-(4-methoxy-phenyl)-6,7-dihydro-2H-imidazo[5,1-c][1,2,4]triazole-3,5-dione

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

Density: 1.6±0.1 g/cm3
Boiling Point: 620.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 329.0±34.3 °C
Index of Refraction: 1.713
Molar Refractivity: 107.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.84
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.84
Polar Surface Area: 104 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 275.4±7.0 cm3

Click to predict properties on the Chemicalize site


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