ChemSpider 2D Image | (4aR)-8-Acetyl-1-(2,4-difluorophenyl)-5,7-dihydroxy-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one | C24H18F2N2O5

(4aR)-8-Acetyl-1-(2,4-difluorophenyl)-5,7-dihydroxy-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one

  • Molecular FormulaC24H18F2N2O5
  • Average mass452.407 Da
  • Monoisotopic mass452.118378 Da
  • ChemSpider ID67970655

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4aR)-8-Acetyl-1-(2,4-difluorophenyl)-5,7-dihydroxy-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one [ACD/IUPAC Name]
(4aR)-8-Acétyl-1-(2,4-difluorophényl)-5,7-dihydroxy-3,4a,6-triméthyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one [French] [ACD/IUPAC Name]
(4aR)-8-Acetyl-1-(2,4-difluorphenyl)-5,7-dihydroxy-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-on [German] [ACD/IUPAC Name]
4H-Benzofuro[3,2-f]indazol-4-one, 8-acetyl-1-(2,4-difluorophenyl)-1,4a-dihydro-5,7-dihydroxy-3,4a,6-trimethyl-, (4aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 679.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 111.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2078.24
ACD/KOC (pH 5.5): 8213.15
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 947.12
ACD/KOC (pH 7.4): 3742.99
Polar Surface Area: 102 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 294.8±7.0 cm3

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