ChemSpider 2D Image | (4S)-4-Benzyl-3-{(2S,3R)-3-[4-(dimethylamino)phenyl]-3-methoxy-2-methylpropanoyl}-1,3-oxazolidin-2-one | C23H28N2O4

(4S)-4-Benzyl-3-{(2S,3R)-3-[4-(dimethylamino)phenyl]-3-methoxy-2-methylpropanoyl}-1,3-oxazolidin-2-one

  • Molecular FormulaC23H28N2O4
  • Average mass396.479 Da
  • Monoisotopic mass396.204895 Da
  • ChemSpider ID30659159

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-4-Benzyl-3-{(2S,3R)-3-[4-(dimethylamino)phenyl]-3-methoxy-2-methylpropanoyl}-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-4-Benzyl-3-{(2S,3R)-3-[4-(dimethylamino)phenyl]-3-methoxy-2-methylpropanoyl}-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-4-Benzyl-3-{(2S,3R)-3-[4-(diméthylamino)phényl]-3-méthoxy-2-méthylpropanoyl}-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 3-[(2S,3R)-3-[4-(dimethylamino)phenyl]-3-methoxy-2-methyl-1-oxopropyl]-4-(phenylmethyl)-, (4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.2±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 111.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 307.77
ACD/KOC (pH 5.5): 1983.85
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 376.31
ACD/KOC (pH 7.4): 2425.67
Polar Surface Area: 59 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 332.6±3.0 cm3

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