ChemSpider 2D Image | N-(3-Methylbenzyl)-5-(4-phenoxyphenyl)-2-thiophenecarboxamide | C25H21NO2S

N-(3-Methylbenzyl)-5-(4-phenoxyphenyl)-2-thiophenecarboxamide

  • Molecular FormulaC25H21NO2S
  • Average mass399.505 Da
  • Monoisotopic mass399.129303 Da
  • ChemSpider ID21519378

More details:






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

2-Thiophenecarboxamide, N-[(3-methylphenyl)methyl]-5-(4-phenoxyphenyl)- [ACD/Index Name]
N-(3-Methylbenzyl)-5-(4-phenoxyphenyl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-(3-Methylbenzyl)-5-(4-phenoxyphenyl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-(3-Méthylbenzyl)-5-(4-phénoxyphényl)-2-thiophènecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 590.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 311.1±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 118.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14954.63
ACD/KOC (pH 5.5): 33875.99
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 14952.72
ACD/KOC (pH 7.4): 33871.67
Polar Surface Area: 67 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 332.1±3.0 cm3

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