ChemSpider 2D Image | (10bS)-3-[(4-Methylphenyl)sulfonyl]-4-phenyl-1,2,3,10b-tetrahydro-5H-chromeno[3,4-c]pyridin-5-one | C25H21NO4S

(10bS)-3-[(4-Methylphenyl)sulfonyl]-4-phenyl-1,2,3,10b-tetrahydro-5H-chromeno[3,4-c]pyridin-5-one

  • Molecular FormulaC25H21NO4S
  • Average mass431.504 Da
  • Monoisotopic mass431.119141 Da
  • ChemSpider ID28417306

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(10bS)-3-[(4-Methylphenyl)sulfonyl]-4-phenyl-1,2,3,10b-tetrahydro-5H-chromeno[3,4-c]pyridin-5-on [German] [ACD/IUPAC Name]
(10bS)-3-[(4-Methylphenyl)sulfonyl]-4-phenyl-1,2,3,10b-tetrahydro-5H-chromeno[3,4-c]pyridin-5-one [ACD/IUPAC Name]
(10bS)-3-[(4-Méthylphényl)sulfonyl]-4-phényl-1,2,3,10b-tétrahydro-5H-chroméno[3,4-c]pyridin-5-one [French] [ACD/IUPAC Name]
5H-[1]Benzopyrano[3,4-c]pyridin-5-one, 1,2,3,10b-tetrahydro-3-[(4-methylphenyl)sulfonyl]-4-phenyl-, (10bS)- [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: 607.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.3±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 118.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12826.67
ACD/KOC (pH 5.5): 30351.23
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12826.67
ACD/KOC (pH 7.4): 30351.23
Polar Surface Area: 72 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 307.5±5.0 cm3

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