ChemSpider 2D Image | N-[5-({7-[(2S)-2,3-Dihydroxypropoxy]-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl}amino)-2-fluorophenyl]benzamide | C31H27FN2O5

N-[5-({7-[(2S)-2,3-Dihydroxypropoxy]-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl}amino)-2-fluorophenyl]benzamide

  • Molecular FormulaC31H27FN2O5
  • Average mass526.555 Da
  • Monoisotopic mass526.190430 Da
  • ChemSpider ID29420690

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[5-[[7-[(2S)-2,3-dihydroxypropoxy]-10,11-dihydro-5-oxo-5H-dibenzo[a,d]cyclohepten-2-yl]amino]-2-fluorophenyl]- [ACD/Index Name]
N-[5-({7-[(2S)-2,3-Dihydroxypropoxy]-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl}amino)-2-fluorophenyl]benzamide [ACD/IUPAC Name]
N-[5-({7-[(2S)-2,3-Dihydroxypropoxy]-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulén-2-yl}amino)-2-fluorophényl]benzamide [French] [ACD/IUPAC Name]
N-[5-({7-[(2S)-2,3-Dihydroxypropoxy]-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl}amino)-2-fluorphenyl]benzamid [German] [ACD/IUPAC 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: 693.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.5±31.5 °C
Index of Refraction: 1.691
Molar Refractivity: 146.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 676.16
ACD/KOC (pH 5.5): 3692.76
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 676.16
ACD/KOC (pH 7.4): 3692.73
Polar Surface Area: 108 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 381.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement