ChemSpider 2D Image | 3-{[7-(2,4-Dimethoxy-5-pyrimidinyl)-3-sulfamoyl-4-quinolinyl]amino}benzoic acid | C22H19N5O6S

3-{[7-(2,4-Dimethoxy-5-pyrimidinyl)-3-sulfamoyl-4-quinolinyl]amino}benzoic acid

  • Molecular FormulaC22H19N5O6S
  • Average mass481.481 Da
  • Monoisotopic mass481.105591 Da
  • ChemSpider ID35035090

More details:

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

3-{[7-(2,4-Dimethoxy-5-pyrimidinyl)-3-sulfamoyl-4-chinolinyl]amino}benzoesäure [German] [ACD/IUPAC Name]
3-{[7-(2,4-Dimethoxy-5-pyrimidinyl)-3-sulfamoyl-4-quinolinyl]amino}benzoic acid [ACD/IUPAC Name]
3-{[7-(2,4-Dimethoxypyrimidin-5-Yl)-3-Sulfamoylquinolin-4-Yl]amino}benzoic Acid
Acide 3-{[7-(2,4-diméthoxy-5-pyrimidinyl)-3-sulfamoyl-4-quinoléinyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-(aminosulfonyl)-7-(2,4-dimethoxy-5-pyrimidinyl)-4-quinolinyl]amino]- [ACD/Index Name]
38K

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

Density: 1.5±0.1 g/cm3
Boiling Point: 733.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.4±35.7 °C
Index of Refraction: 1.678
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 3.80
ACD/KOC (pH 5.5): 37.97
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 175 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 75.3±3.0 dyne/cm
Molar Volume: 324.0±3.0 cm3

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