ChemSpider 2D Image | 4-{[8-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid | C27H20ClFN4O4

4-{[8-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid

  • Molecular FormulaC27H20ClFN4O4
  • Average mass518.924 Da
  • Monoisotopic mass518.115723 Da
  • ChemSpider ID58942337

More details:

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

4-{[8-Chlor-7-(2-fluor-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoesäure [German] [ACD/IUPAC Name]
4-{[8-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid [ACD/IUPAC Name]
Acide 4-{[8-chloro-7-(2-fluoro-6-méthoxyphényl)-5H-pyrimido[5,4-d][2]benzazépin-2-yl]amino}-2-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[8-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy- [ACD/Index 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: 726.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 393.1±35.7 °C
Index of Refraction: 1.671
Molar Refractivity: 135.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 413.17
ACD/KOC (pH 5.5): 1030.34
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 12.87
ACD/KOC (pH 7.4): 32.08
Polar Surface Area: 106 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 360.9±7.0 cm3

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