ChemSpider 2D Image | 8-{[Benzyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]methyl}-7-hydroxy-2-methyl-3-phenyl-4H-chromen-4-one | C28H27NO5S

8-{[Benzyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]methyl}-7-hydroxy-2-methyl-3-phenyl-4H-chromen-4-one

  • Molecular FormulaC28H27NO5S
  • Average mass489.583 Da
  • Monoisotopic mass489.160980 Da
  • ChemSpider ID22558936

More details:

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

4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-phenyl-8-[[(phenylmethyl)(tetrahydro-1,1-dioxido-3-thienyl)amino]methyl]- [ACD/Index Name]
8-{[Benzyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]methyl}-7-hydroxy-2-methyl-3-phenyl-4H-chromen-4-on [German] [ACD/IUPAC Name]
8-{[Benzyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]methyl}-7-hydroxy-2-methyl-3-phenyl-4H-chromen-4-one [ACD/IUPAC Name]
8-{[Benzyl(1,1-dioxydotétrahydro-3-thiophényl)amino]méthyl}-7-hydroxy-2-méthyl-3-phényl-4H-chromén-4-one [French] [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: 731.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 396.4±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 503.19
ACD/KOC (pH 5.5): 2802.05
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 106.50
ACD/KOC (pH 7.4): 593.08
Polar Surface Area: 92 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 352.6±5.0 cm3

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