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Search term: OXWBLBDJUUJFFV-LJAQVGFWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (8S)-8-(4-{2-[3-(Fluoromethyl)-1-azetidinyl]ethoxy}phenyl)-1,8-dihydro-2H-chromeno[4,3-d][1]benzoxepine-5,11-diol | C29H28FNO5

(8S)-8-(4-{2-[3-(Fluoromethyl)-1-azetidinyl]ethoxy}phenyl)-1,8-dihydro-2H-chromeno[4,3-d][1]benzoxepine-5,11-diol

  • Molecular FormulaC29H28FNO5
  • Average mass489.535 Da
  • Monoisotopic mass489.195160 Da
  • ChemSpider ID129183715

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8S)-8-(4-{2-[3-(Fluormethyl)-1-azetidinyl]ethoxy}phenyl)-1,8-dihydro-2H-chromeno[4,3-d][1]benzoxepin-5,11-diol [German] [ACD/IUPAC Name]
(8S)-8-(4-{2-[3-(Fluoromethyl)-1-azetidinyl]ethoxy}phenyl)-1,8-dihydro-2H-chromeno[4,3-d][1]benzoxepine-5,11-diol [ACD/IUPAC Name]
(8S)-8-(4-{2-[3-(Fluorométhyl)-1-azétidinyl]éthoxy}phényl)-1,8-dihydro-2H-chroméno[4,3-d][1]benzoxépine-5,11-diol [French] [ACD/IUPAC Name]
2H-[1]Benzopyrano[4,3-d][1]benzoxepin-5,11-diol, 8-[4-[2-[3-(fluoromethyl)-1-azetidinyl]ethoxy]phenyl]-1,8-dihydro-, (8S)- [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: 706.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 381.3±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 43.81
ACD/KOC (pH 5.5): 118.54
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2168.59
ACD/KOC (pH 7.4): 5867.58
Polar Surface Area: 71 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 348.0±5.0 cm3

Click to predict properties on the Chemicalize site


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