ChemSpider 2D Image | (5R)-5-(4-{2-[3-(Fluoromethyl)-1-azetidinyl]ethoxy}phenyl)-8-(trifluoromethyl)-5H-chromeno[4,3-c]quinolin-2-ol | C29H24F4N2O3

(5R)-5-(4-{2-[3-(Fluoromethyl)-1-azetidinyl]ethoxy}phenyl)-8-(trifluoromethyl)-5H-chromeno[4,3-c]quinolin-2-ol

  • Molecular FormulaC29H24F4N2O3
  • Average mass524.506 Da
  • Monoisotopic mass524.172302 Da
  • ChemSpider ID115010421

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-(4-{2-[3-(Fluormethyl)-1-azetidinyl]ethoxy}phenyl)-8-(trifluormethyl)-5H-chromeno[4,3-c]chinolin-2-ol [German] [ACD/IUPAC Name]
(5R)-5-(4-{2-[3-(Fluorométhyl)-1-azétidinyl]éthoxy}phényl)-8-(trifluorométhyl)-5H-chroméno[4,3-c]quinoléin-2-ol [French] [ACD/IUPAC Name]
(5R)-5-(4-{2-[3-(Fluoromethyl)-1-azetidinyl]ethoxy}phenyl)-8-(trifluoromethyl)-5H-chromeno[4,3-c]quinolin-2-ol [ACD/IUPAC Name]
5H-[1]Benzopyrano[4,3-c]quinolin-2-ol, 5-[4-[2-[3-(fluoromethyl)-1-azetidinyl]ethoxy]phenyl]-8-(trifluoromethyl)-, (5R)- [ACD/Index Name]
2408840-26-4 [RN]
Imlunestrant

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 366.8±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 134.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 82.31
ACD/KOC (pH 5.5): 186.76
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 3925.58
ACD/KOC (pH 7.4): 8907.31
Polar Surface Area: 55 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 385.7±3.0 cm3

Click to predict properties on the Chemicalize site


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