ChemSpider 2D Image | 4-Tosyl-1,2,7,8-tetradehydro-3,4,5,6-tetrahydro-4-benzazecine-5-carboxylic acid methyl ester | C22H19NO4S

4-Tosyl-1,2,7,8-tetradehydro-3,4,5,6-tetrahydro-4-benzazecine-5-carboxylic acid methyl ester

  • Molecular FormulaC22H19NO4S
  • Average mass393.456 Da
  • Monoisotopic mass393.103485 Da
  • ChemSpider ID25942268

More details:

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

4-[(4-Méthylphényl)sulfonyl]-1,2,7,8-tétradéhydro-3,4,5,6-tétrahydro-4-benzazécine-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Benzazecine-5-carboxylic acid, 1,2,7,8-tetradehydro-3,4,5,6-tetrahydro-4-[(4-methylphenyl)sulfonyl]-, methyl ester [ACD/Index Name]
4-Tosyl-1,2,7,8-tetradehydro-3,4,5,6-tetrahydro-4-benzazecine-5-carboxylic acid methyl ester
Methyl 4-[(4-methylphenyl)sulfonyl]-1,2,7,8-tetradehydro-3,4,5,6-tetrahydro-4-benzazecine-5-carboxylate [ACD/IUPAC Name]
Methyl-4-[(4-methylphenyl)sulfonyl]-1,2,7,8-tetradehydro-3,4,5,6-tetrahydro-4-benzazecin-5-carboxylat [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: 575.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.7±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 106.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2387.34
ACD/KOC (pH 5.5): 9109.76
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2387.34
ACD/KOC (pH 7.4): 9109.76
Polar Surface Area: 72 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 289.6±5.0 cm3

Click to predict properties on the Chemicalize site


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