ChemSpider 2D Image | 6-[(4-{2-Fluoro-4-[({1-[(4-fluorophenyl)carbamoyl]cyclopropyl}carbonyl)amino]phenoxy}-6-methoxy-7-quinolinyl)oxy]hexanoic acid | C33H31F2N3O7

6-[(4-{2-Fluoro-4-[({1-[(4-fluorophenyl)carbamoyl]cyclopropyl}carbonyl)amino]phenoxy}-6-methoxy-7-quinolinyl)oxy]hexanoic acid

  • Molecular FormulaC33H31F2N3O7
  • Average mass619.612 Da
  • Monoisotopic mass619.213013 Da
  • ChemSpider ID128942315

More details:

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

6-[(4-{2-Fluor-4-[({1-[(4-fluorphenyl)carbamoyl]cyclopropyl}carbonyl)amino]phenoxy}-6-methoxy-7-chinolinyl)oxy]hexansäure [German] [ACD/IUPAC Name]
6-[(4-{2-Fluoro-4-[({1-[(4-fluorophenyl)carbamoyl]cyclopropyl}carbonyl)amino]phenoxy}-6-methoxy-7-quinolinyl)oxy]hexanoic acid [ACD/IUPAC Name]
Acide 6-[(4-{2-fluoro-4-[({1-[(4-fluorophényl)carbamoyl]cyclopropyl}carbonyl)amino]phénoxy}-6-méthoxy-7-quinoléinyl)oxy]hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[4-[2-fluoro-4-[[[1-[[(4-fluorophenyl)amino]carbonyl]cyclopropyl]carbonyl]amino]phenoxy]-6-methoxy-7-quinolinyl]oxy]- [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: 847.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.0±3.0 kJ/mol
Flash Point: 466.2±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 161.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 103.04
ACD/KOC (pH 5.5): 474.47
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 2.85
ACD/KOC (pH 7.4): 13.14
Polar Surface Area: 136 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 440.4±3.0 cm3

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