ChemSpider 2D Image | 5-Ethyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide | C22H22F3N3O2

5-Ethyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide

  • Molecular FormulaC22H22F3N3O2
  • Average mass417.424 Da
  • Monoisotopic mass417.166412 Da
  • ChemSpider ID34268452

More details:

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

5-Ethyl-11-oxo-N-[3-(trifluormethyl)phenyl]-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]chinazolin-3-carboxamid [German] [ACD/IUPAC Name]
5-Ethyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide [ACD/IUPAC Name]
5-Éthyl-11-oxo-N-[3-(trifluorométhyl)phényl]-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide [French] [ACD/IUPAC Name]
7H-Pyrido[2,1-b]quinazoline-3-carboxamide, 5-ethyl-5,5a,6,8,9,11-hexahydro-11-oxo-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
[1574594-79-8] [RN]
1574594-79-8 [RN]
5-ethyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-carboxamide
BS-7947
MFCD28805937

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

Density: 1.4±0.1 g/cm3
Boiling Point: 520.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.3±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 105.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 332.40
ACD/KOC (pH 5.5): 2221.20
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 332.46
ACD/KOC (pH 7.4): 2221.59
Polar Surface Area: 53 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 304.6±5.0 cm3

Click to predict properties on the Chemicalize site


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