ChemSpider 2D Image | {6-Fluoro-4-[(4-isopropylphenyl)amino]-3-quinolinyl}(4-thiomorpholinyl)methanone | C23H24FN3OS

{6-Fluoro-4-[(4-isopropylphenyl)amino]-3-quinolinyl}(4-thiomorpholinyl)methanone

  • Molecular FormulaC23H24FN3OS
  • Average mass409.520 Da
  • Monoisotopic mass409.162415 Da
  • ChemSpider ID28986030

More details:

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

{6-Fluor-4-[(4-isopropylphenyl)amino]-3-chinolinyl}(4-thiomorpholinyl)methanon [German] [ACD/IUPAC Name]
{6-Fluoro-4-[(4-isopropylphényl)amino]-3-quinoléinyl}(4-thiomorpholinyl)méthanone [French] [ACD/IUPAC Name]
{6-Fluoro-4-[(4-isopropylphenyl)amino]-3-quinolinyl}(4-thiomorpholinyl)methanone [ACD/IUPAC Name]
Methanone, [6-fluoro-4-[[4-(1-methylethyl)phenyl]amino]-3-quinolinyl]-4-thiomorpholinyl- [ACD/Index Name]
(6-fluoro-4-((4-isopropylphenyl)amino)quinolin-3-yl)(thiomorpholino)methanone
1357782-80-9 [RN]
6-FLUORO-N-(4-ISOPROPYLPHENYL)-3-(THIOMORPHOLINE-4-CARBONYL)QUINOLIN-4-AMINE
6-FLUORO-N-[4-(PROPAN-2-YL)PHENYL]-3-(THIOMORPHOLINE-4-CARBONYL)QUINOLIN-4-AMINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 576.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.4±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 119.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5302.19
ACD/KOC (pH 5.5): 15538.74
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6032.34
ACD/KOC (pH 7.4): 17678.54
Polar Surface Area: 71 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 321.7±3.0 cm3

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