ChemSpider 2D Image | (2S,5R,6S)-2-Benzyl-5,6-bis(4-bromophenyl)-4-methyl-3-morpholinone | C24H21Br2NO2

(2S,5R,6S)-2-Benzyl-5,6-bis(4-bromophenyl)-4-methyl-3-morpholinone

  • Molecular FormulaC24H21Br2NO2
  • Average mass515.237 Da
  • Monoisotopic mass512.993896 Da
  • ChemSpider ID29404318
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2S,5R,6S)-2-Benzyl-5,6-bis(4-bromophenyl)-4-methyl-3-morpholinone [ACD/IUPAC Name]
(2S,5R,6S)-2-Benzyl-5,6-bis(4-bromophényl)-4-méthyl-3-morpholinone [French] [ACD/IUPAC Name]
(2s,5r,6s)-2-Benzyl-5,6-Bis(4-Bromophenyl)-4-Methylmorpholin-3-One
(2S,5R,6S)-2-Benzyl-5,6-bis(4-bromphenyl)-4-methyl-3-morpholinon [German] [ACD/IUPAC Name]
3-Morpholinone, 5,6-bis(4-bromophenyl)-4-methyl-2-(phenylmethyl)-, (2S,5R,6S)- [ACD/Index Name]
10.1021/jm400293z
1MN

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.6±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33886.89
ACD/KOC (pH 5.5): 60838.80
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33886.89
ACD/KOC (pH 7.4): 60838.80
Polar Surface Area: 30 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 344.1±3.0 cm3

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