Found 6 results

Search term: QKAJEJWWIMVWQA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-{2-[(5S)-3-(6-Bromo-2-oxo-4-phenyl-3(2H)-quinolinylidene)-5-phenyl-1-pyrazolidinyl]-2-oxoethyl}morpholin-4-ium | C30H28BrN4O3

4-{2-[(5S)-3-(6-Bromo-2-oxo-4-phenyl-3(2H)-quinolinylidene)-5-phenyl-1-pyrazolidinyl]-2-oxoethyl}morpholin-4-ium

  • Molecular FormulaC30H28BrN4O3
  • Average mass572.472 Da
  • Monoisotopic mass571.133911 Da
  • ChemSpider ID5338626

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{2-[(5S)-3-(6-Brom-2-oxo-4-phenyl-3(2H)-chinolinyliden)-5-phenyl-1-pyrazolidinyl]-2-oxoethyl}morpholin-4-ium [German] [ACD/IUPAC Name]
4-{2-[(5S)-3-(6-Bromo-2-oxo-4-phényl-3(2H)-quinoléinylidène)-5-phényl-1-pyrazolidinyl]-2-oxoéthyl}morpholin-4-ium [French] [ACD/IUPAC Name]
4-{2-[(5S)-3-(6-Bromo-2-oxo-4-phenyl-3(2H)-quinolinylidene)-5-phenyl-1-pyrazolidinyl]-2-oxoethyl}morpholin-4-ium [ACD/IUPAC Name]
Morpholinium, 4-[2-[(5S)-3-(6-bromo-2-oxo-4-phenyl-3(2H)-quinolinylidene)-5-phenyl-1-pyrazolidinyl]-2-oxoethyl]- [ACD/Index Name]

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

ZINC00842136 [DBID]

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

Density:
Boiling Point: 618.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 328.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 394.88
ACD/KOC (pH 5.5): 2305.00
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 532.63
ACD/KOC (pH 7.4): 3109.04
Polar Surface Area: 75 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement