ChemSpider 2D Image | 1-(2-Oxo-3-{[2-(trifluoromethyl)benzyl]amino}propyl)-6'H-spiro[indole-3,5'-tetrazolo[1,5-c]quinazolin]-2(1H)-one | C26H20F3N7O2

1-(2-Oxo-3-{[2-(trifluoromethyl)benzyl]amino}propyl)-6'H-spiro[indole-3,5'-tetrazolo[1,5-c]quinazolin]-2(1H)-one

  • Molecular FormulaC26H20F3N7O2
  • Average mass519.478 Da
  • Monoisotopic mass519.163086 Da
  • ChemSpider ID77446624

More details:

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

1-(2-Oxo-3-{[2-(trifluoromethyl)benzyl]amino}propyl)-6'H-spiro[indole-3,5'-tetrazolo[1,5-c]quinazolin]-2(1H)-one [ACD/IUPAC Name]
Spiro[3H-indole-3,5'(6'H)-tetrazolo[1,5-c]quinazolin]-2(1H)-one, 1-[2-oxo-3-[[[2-(trifluoromethyl)phenyl]methyl]amino]propyl]- [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: 761.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.2±35.7 °C
Index of Refraction: 1.713
Molar Refractivity: 132.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 212.96
ACD/KOC (pH 5.5): 1258.39
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 503.51
ACD/KOC (pH 7.4): 2975.29
Polar Surface Area: 105 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 338.5±7.0 cm3

Click to predict properties on the Chemicalize site


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