ChemSpider 2D Image | 10-{[(2S)-2-(Hydroxymethyl)-1-pyrrolidinyl]carbonyl}-8-phenyl-7H-thieno[2,3-a]quinolizin-7-one | C23H20N2O3S

10-{[(2S)-2-(Hydroxymethyl)-1-pyrrolidinyl]carbonyl}-8-phenyl-7H-thieno[2,3-a]quinolizin-7-one

  • Molecular FormulaC23H20N2O3S
  • Average mass404.482 Da
  • Monoisotopic mass404.119476 Da
  • ChemSpider ID21256240

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

10-{[(2S)-2-(Hydroxymethyl)-1-pyrrolidinyl]carbonyl}-8-phenyl-7H-thieno[2,3-a]chinolizin-7-on [German] [ACD/IUPAC Name]
10-{[(2S)-2-(Hydroxymethyl)-1-pyrrolidinyl]carbonyl}-8-phenyl-7H-thieno[2,3-a]quinolizin-7-one [ACD/IUPAC Name]
10-{[(2S)-2-(Hydroxyméthyl)-1-pyrrolidinyl]carbonyl}-8-phényl-7H-thiéno[2,3-a]quinolizin-7-one [French] [ACD/IUPAC Name]
7H-Thieno[2,3-a]quinolizin-7-one, 10-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]carbonyl]-8-phenyl- [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: 699.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 376.7±31.5 °C
Index of Refraction: 1.735
Molar Refractivity: 112.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 55.15
ACD/KOC (pH 5.5): 614.04
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 55.15
ACD/KOC (pH 7.4): 614.04
Polar Surface Area: 89 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 279.6±5.0 cm3

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