ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-N-{[7-fluoro-2-(4-morpholinyl)-3-quinolinyl]methyl}-2-methyl-1,3-thiazole-4-carboxamide | C27H25FN4O4S

N-(1,3-Benzodioxol-5-ylmethyl)-N-{[7-fluoro-2-(4-morpholinyl)-3-quinolinyl]methyl}-2-methyl-1,3-thiazole-4-carboxamide

  • Molecular FormulaC27H25FN4O4S
  • Average mass520.575 Da
  • Monoisotopic mass520.158081 Da
  • ChemSpider ID22206445

More details:

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

4-Thiazolecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-fluoro-2-(4-morpholinyl)-3-quinolinyl]methyl]-2-methyl- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N-{[7-fluor-2-(4-morpholinyl)-3-chinolinyl]methyl}-2-methyl-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-N-{[7-fluoro-2-(4-morpholinyl)-3-quinoléinyl]méthyl}-2-méthyl-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N-{[7-fluoro-2-(4-morpholinyl)-3-quinolinyl]methyl}-2-methyl-1,3-thiazole-4-carboxamide [ACD/IUPAC 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: 746.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.4±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.14
ACD/KOC (pH 5.5): 861.68
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.29
ACD/KOC (pH 7.4): 901.26
Polar Surface Area: 105 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 371.1±3.0 cm3

Click to predict properties on the Chemicalize site


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