ChemSpider 2D Image | Methyl 9-[(4-methylphenyl)sulfonyl]-1-phenyl-9H-beta-carboline-3-carboxylate | C26H20N2O4S

Methyl 9-[(4-methylphenyl)sulfonyl]-1-phenyl-9H-β-carboline-3-carboxylate

  • Molecular FormulaC26H20N2O4S
  • Average mass456.513 Da
  • Monoisotopic mass456.114380 Da
  • ChemSpider ID23076227

More details:

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

9-[(4-Méthylphényl)sulfonyl]-1-phényl-9H-β-carboline-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
9H-Pyrido[3,4-b]indole-3-carboxylic acid, 9-[(4-methylphenyl)sulfonyl]-1-phenyl-, methyl ester [ACD/Index Name]
Methyl 9-[(4-methylphenyl)sulfonyl]-1-phenyl-9H-β-carboline-3-carboxylate [ACD/IUPAC Name]
Methyl-9-[(4-methylphenyl)sulfonyl]-1-phenyl-9H-β-carbolin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 702.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.8±35.7 °C
Index of Refraction: 1.663
Molar Refractivity: 128.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5666.84
ACD/KOC (pH 5.5): 16911.27
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5669.45
ACD/KOC (pH 7.4): 16919.07
Polar Surface Area: 87 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 346.0±7.0 cm3

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