ChemSpider 2D Image | N-{[2-(Dimethylamino)-5,6,7-trimethoxy-3-quinolinyl]methyl}-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide | C27H29FN4O4S

N-{[2-(Dimethylamino)-5,6,7-trimethoxy-3-quinolinyl]methyl}-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide

  • Molecular FormulaC27H29FN4O4S
  • Average mass524.607 Da
  • Monoisotopic mass524.189331 Da
  • ChemSpider ID22225281

More details:

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

5-Thiazolecarboxamide, N-[[2-(dimethylamino)-5,6,7-trimethoxy-3-quinolinyl]methyl]-N-[2-(4-fluorophenyl)ethyl]- [ACD/Index Name]
N-{[2-(Dimethylamino)-5,6,7-trimethoxy-3-chinolinyl]methyl}-N-[2-(4-fluorphenyl)ethyl]-1,3-thiazol-5-carboxamid [German] [ACD/IUPAC Name]
N-{[2-(Diméthylamino)-5,6,7-triméthoxy-3-quinoléinyl]méthyl}-N-[2-(4-fluorophényl)éthyl]-1,3-thiazole-5-carboxamide [French] [ACD/IUPAC Name]
N-{[2-(Dimethylamino)-5,6,7-trimethoxy-3-quinolinyl]methyl}-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.7±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 145.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 26.96
ACD/KOC (pH 5.5): 193.24
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 233.63
ACD/KOC (pH 7.4): 1674.64
Polar Surface Area: 105 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 406.9±3.0 cm3

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