ChemSpider 2D Image | N-(4-Fluorophenyl)-2-[(Z)-(4-methoxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C23H21FN2O2S

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

  • Molecular FormulaC23H21FN2O2S
  • Average mass408.488 Da
  • Monoisotopic mass408.130768 Da
  • ChemSpider ID30655227

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzo[b]thiophene-3-carboxamide, N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-[[(1Z)-(4-methoxyphenyl)methylene]amino]- [ACD/Index Name]
N-(4-Fluorophenyl)-2-[(Z)-(4-methoxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
N-(4-Fluorophényl)-2-[(Z)-(4-méthoxybenzylidène)amino]-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]
N-(4-Fluorphenyl)-2-[(Z)-(4-methoxybenzyliden)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [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: 559.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.3±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 114.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 7992.55
ACD/KOC (pH 5.5): 21604.78
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8029.75
ACD/KOC (pH 7.4): 21705.36
Polar Surface Area: 79 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 318.3±7.0 cm3

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