ChemSpider 2D Image | (3R,11aR)-3,11a-Diphenyl-2,3,11,11a-tetrahydro[1,3]oxazolo[2,3-b][3]benzazepin-5(6H)-one | C24H21NO2

(3R,11aR)-3,11a-Diphenyl-2,3,11,11a-tetrahydro[1,3]oxazolo[2,3-b][3]benzazepin-5(6H)-one

  • Molecular FormulaC24H21NO2
  • Average mass355.429 Da
  • Monoisotopic mass355.157227 Da
  • ChemSpider ID30658929

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,11aR)-3,11a-Diphenyl-2,3,11,11a-tetrahydro[1,3]oxazolo[2,3-b][3]benzazepin-5(6H)-on [German] [ACD/IUPAC Name]
(3R,11aR)-3,11a-Diphenyl-2,3,11,11a-tetrahydro[1,3]oxazolo[2,3-b][3]benzazepin-5(6H)-one [ACD/IUPAC Name]
(3R,11aR)-3,11a-Diphényl-2,3,11,11a-tétrahydro[1,3]oxazolo[2,3-b][3]benzazépin-5(6H)-one [French] [ACD/IUPAC Name]
Oxazolo[2,3-b][3]benzazepin-5(6H)-one, 2,3,11,11a-tetrahydro-3,11a-diphenyl-, (3R,11aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 549.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 285.9±30.1 °C
Index of Refraction: 1.678
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1338.87
ACD/KOC (pH 5.5): 6021.68
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1338.87
ACD/KOC (pH 7.4): 6021.68
Polar Surface Area: 30 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 280.2±5.0 cm3

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