ChemSpider 2D Image | {6-Fluoro-4-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinyl}(4-thiomorpholinyl)methanone | C22H23FN6OS

{6-Fluoro-4-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinyl}(4-thiomorpholinyl)methanone

  • Molecular FormulaC22H23FN6OS
  • Average mass438.521 Da
  • Monoisotopic mass438.163818 Da
  • ChemSpider ID31093089

More details:

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

{6-Fluor-4-[4-(2-pyrimidinyl)-1-piperazinyl]-3-chinolinyl}(4-thiomorpholinyl)methanon [German] [ACD/IUPAC Name]
{6-Fluoro-4-[4-(2-pyrimidinyl)-1-pipérazinyl]-3-quinoléinyl}(4-thiomorpholinyl)méthanone [French] [ACD/IUPAC Name]
{6-Fluoro-4-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinyl}(4-thiomorpholinyl)methanone [ACD/IUPAC Name]
Methanone, [6-fluoro-4-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinyl]-4-thiomorpholinyl- [ACD/Index Name]
[6-Fluoro-4-(4-pyrimidin-2-yl-piperazin-1-yl)-quinolin-3-yl]-thiomorpholin-4-yl-methanone
{6-fluoro-4-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl}(thiomorpholin-4-yl)methanone
6-FLUORO-4-[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]-3-(THIOMORPHOLINE-4-CARBONYL)QUINOLINE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 709.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.6±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 120.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.91
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 4.14
ACD/KOC (pH 7.4): 48.24
Polar Surface Area: 91 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 319.5±3.0 cm3

Click to predict properties on the Chemicalize site


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