ChemSpider 2D Image | 5-Ethyl-11-oxo-N-[4-(trifluoromethoxy)phenyl]-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide | C22H22F3N3O3

5-Ethyl-11-oxo-N-[4-(trifluoromethoxy)phenyl]-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide

  • Molecular FormulaC22H22F3N3O3
  • Average mass433.424 Da
  • Monoisotopic mass433.161316 Da
  • ChemSpider ID34268460

More details:

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

5-Ethyl-11-oxo-N-[4-(trifluormethoxy)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-[4-(trifluoromethoxy)phenyl]-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide [ACD/IUPAC Name]
5-Éthyl-11-oxo-N-[4-(trifluorométhoxy)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-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
[1574560-89-6] [RN]
1574560-89-6 [RN]
5-ethyl-11-oxo-N-[4-(trifluoromethoxy)phenyl]-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-carboxamide
BS-8356
MFCD28506589

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

Density: 1.4±0.1 g/cm3
Boiling Point: 522.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 270.1±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 141.95
ACD/KOC (pH 5.5): 1208.03
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.97
ACD/KOC (pH 7.4): 1208.23
Polar Surface Area: 62 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 310.6±5.0 cm3

Click to predict properties on the Chemicalize site


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