ChemSpider 2D Image | Methyl 1-mesityl-5-[(4-methylphenyl)sulfonyl]-5H-pyrido[4,3-b]indole-3-carboxylate | C29H26N2O4S

Methyl 1-mesityl-5-[(4-methylphenyl)sulfonyl]-5H-pyrido[4,3-b]indole-3-carboxylate

  • Molecular FormulaC29H26N2O4S
  • Average mass498.593 Da
  • Monoisotopic mass498.161316 Da
  • ChemSpider ID23078604

More details:

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

1-Mésityl-5-[(4-méthylphényl)sulfonyl]-5H-pyrido[4,3-b]indole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
5H-Pyrido[4,3-b]indole-3-carboxylic acid, 5-[(4-methylphenyl)sulfonyl]-1-(2,4,6-trimethylphenyl)-, methyl ester [ACD/Index Name]
Methyl 1-mesityl-5-[(4-methylphenyl)sulfonyl]-5H-pyrido[4,3-b]indole-3-carboxylate [ACD/IUPAC Name]
Methyl-1-mesityl-5-[(4-methylphenyl)sulfonyl]-5H-pyrido[4,3-b]indol-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: 690.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.4±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 141.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41137.27
ACD/KOC (pH 5.5): 69804.74
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41324.41
ACD/KOC (pH 7.4): 70122.30
Polar Surface Area: 87 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 391.5±7.0 cm3

Click to predict properties on the Chemicalize site


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