ChemSpider 2D Image | (3S,3aR,9bR)-3-(4-Methylphenyl)-1-phenyl-1,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole-3a(4H)-carbonitrile | C24H20N2O2

(3S,3aR,9bR)-3-(4-Methylphenyl)-1-phenyl-1,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole-3a(4H)-carbonitrile

  • Molecular FormulaC24H20N2O2
  • Average mass368.428 Da
  • Monoisotopic mass368.152466 Da
  • ChemSpider ID30657434

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,3aR,9bR)-3-(4-Methylphenyl)-1-phenyl-1,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazol-3a(4H)-carbonitril [German] [ACD/IUPAC Name]
(3S,3aR,9bR)-3-(4-Methylphenyl)-1-phenyl-1,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole-3a(4H)-carbonitrile [ACD/IUPAC Name]
(3S,3aR,9bR)-3-(4-Méthylphényl)-1-phényl-1,9b-dihydro-3H-chroméno[4,3-c][1,2]oxazole-3a(4H)-carbonitrile [French] [ACD/IUPAC Name]
3H-[1]Benzopyrano[4,3-c]isoxazole-3a(4H)-carbonitrile, 1,9b-dihydro-3-(4-methylphenyl)-1-phenyl-, (3S,3aR,9bR)- [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: 543.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.4±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2442.27
ACD/KOC (pH 5.5): 9259.31
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2442.27
ACD/KOC (pH 7.4): 9259.31
Polar Surface Area: 45 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 283.1±5.0 cm3

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