ChemSpider 2D Image | 2-[(Z)-(4-Chlorobenzylidene)amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C23H21ClN2OS

2-[(Z)-(4-Chlorobenzylidene)amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • Molecular FormulaC23H21ClN2OS
  • Average mass408.944 Da
  • Monoisotopic mass408.106323 Da
  • ChemSpider ID30652417

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(Z)-(4-Chlorbenzyliden)amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
2-[(Z)-(4-Chlorobenzylidene)amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
2-[(Z)-(4-Chlorobenzylidène)amino]-N-(2-méthylphényl)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxamide, 2-[[(1Z)-(4-chlorophenyl)methylene]amino]-4,5,6,7-tetrahydro-N-(2-methylphenyl)- [ACD/Index 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: 564.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.2±30.1 °C
Index of Refraction: 1.660
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 38476.92
ACD/KOC (pH 5.5): 66622.55
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38491.79
ACD/KOC (pH 7.4): 66648.30
Polar Surface Area: 70 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 318.3±7.0 cm3

Click to predict properties on the Chemicalize site


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