ChemSpider 2D Image | (2S)-1-{[(4S)-4-Benzyl-2-oxo-1,3-oxazolidin-3-yl]carbonyl}-1,2-dihydro-2-quinolinecarbonitrile | C21H17N3O3

(2S)-1-{[(4S)-4-Benzyl-2-oxo-1,3-oxazolidin-3-yl]carbonyl}-1,2-dihydro-2-quinolinecarbonitrile

  • Molecular FormulaC21H17N3O3
  • Average mass359.378 Da
  • Monoisotopic mass359.126984 Da
  • ChemSpider ID24731779

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-1-{[(4S)-4-Benzyl-2-oxo-1,3-oxazolidin-3-yl]carbonyl}-1,2-dihydro-2-chinolincarbonitril [German] [ACD/IUPAC Name]
(2S)-1-{[(4S)-4-Benzyl-2-oxo-1,3-oxazolidin-3-yl]carbonyl}-1,2-dihydro-2-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
(2S)-1-{[(4S)-4-Benzyl-2-oxo-1,3-oxazolidin-3-yl]carbonyl}-1,2-dihydro-2-quinolinecarbonitrile [ACD/IUPAC Name]
2-Quinolinecarbonitrile, 1,2-dihydro-1-[[(4S)-2-oxo-4-(phenylmethyl)-3-oxazolidinyl]carbonyl]-, (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 547.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.7±32.9 °C
Index of Refraction: 1.682
Molar Refractivity: 98.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 61.28
ACD/KOC (pH 5.5): 662.18
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 61.28
ACD/KOC (pH 7.4): 662.18
Polar Surface Area: 74 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 260.2±5.0 cm3

Click to predict properties on the Chemicalize site


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