ChemSpider 2D Image | (2E)-3-{4-[(1Z)-2-(2-Chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl]phenyl}acrylic acid | C26H20ClFN2O2

(2E)-3-{4-[(1Z)-2-(2-Chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl]phenyl}acrylic acid

  • Molecular FormulaC26H20ClFN2O2
  • Average mass446.901 Da
  • Monoisotopic mass446.119720 Da
  • ChemSpider ID114969250

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{4-[(1Z)-2-(2-Chlor-4-fluorphenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl]phenyl}acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-{4-[(1Z)-2-(2-Chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl]phenyl}acrylic acid [ACD/IUPAC Name]
1365888-06-7 [RN]
2-Propenoic acid, 3-[4-[(1Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{4-[(1Z)-2-(2-chloro-4-fluorophényl)-1-(1H-indazol-5-yl)-1-butén-1-yl]phényl}acrylique [French] [ACD/IUPAC Name]
Brilanestrant [INN] [USAN]
Brilanestrant (GDC-0810)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.4±31.5 °C
Index of Refraction: 1.690
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 7776.58
ACD/KOC (pH 5.5): 10675.68
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 122.64
ACD/KOC (pH 7.4): 168.35
Polar Surface Area: 66 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 332.9±3.0 cm3

Click to predict properties on the Chemicalize site


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