ChemSpider 2D Image | N-[4-(Difluoromethoxy)benzyl]-N-methyl-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide | C21H19F2N3O3

N-[4-(Difluoromethoxy)benzyl]-N-methyl-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide

  • Molecular FormulaC21H19F2N3O3
  • Average mass399.391 Da
  • Monoisotopic mass399.139435 Da
  • ChemSpider ID22428146

More details:

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

N-[4-(Difluormethoxy)benzyl]-N-methyl-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]chinazolin-6-carboxamid [German] [ACD/IUPAC Name]
N-[4-(Difluoromethoxy)benzyl]-N-methyl-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide [ACD/IUPAC Name]
N-[4-(Difluorométhoxy)benzyl]-N-méthyl-9-oxo-1,2,3,9-tétrahydropyrrolo[2,1-b]quinazoline-6-carboxamide [French] [ACD/IUPAC Name]
Pyrrolo[2,1-b]quinazoline-6-carboxamide, N-[[4-(difluoromethoxy)phenyl]methyl]-1,2,3,9-tetrahydro-N-methyl-9-oxo- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.6±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.25
ACD/KOC (pH 5.5): 209.18
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.26
ACD/KOC (pH 7.4): 209.28
Polar Surface Area: 62 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 288.7±7.0 cm3

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