ChemSpider 2D Image | N-(3-Fluoro-4-methylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide | C22H24FN3O2

N-(3-Fluoro-4-methylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide

  • Molecular FormulaC22H24FN3O2
  • Average mass381.443 Da
  • Monoisotopic mass381.185242 Da
  • ChemSpider ID34982551

More details:

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

Azepino[2,1-b]quinazoline-3-carboxamide, N-(3-fluoro-4-methylphenyl)-5,5a,6,7,8,9,10,12-octahydro-5-methyl-12-oxo- [ACD/Index Name]
N-(3-Fluor-4-methylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]chinazolin-3-carboxamid [German] [ACD/IUPAC Name]
N-(3-Fluoro-4-methylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide [ACD/IUPAC Name]
N-(3-Fluoro-4-méthylphényl)-5-méthyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazépino[2,1-b]quinazoline-3-carboxamide [French] [ACD/IUPAC Name]
[1775395-97-5] [RN]
1775395-97-5 [RN]
BS-6976
MFCD28506438
N-(3-fluoro-4-methylphenyl)-5-methyl-12-oxo-5H,5aH,6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 525.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.8±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 288.58
ACD/KOC (pH 5.5): 2007.47
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 288.60
ACD/KOC (pH 7.4): 2007.64
Polar Surface Area: 53 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 293.9±5.0 cm3

Click to predict properties on the Chemicalize site


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