ChemSpider 2D Image | 3-Chloro-N-(4-phenoxybenzyl)-1-benzothiophene-2-carboxamide | C22H16ClNO2S

3-Chloro-N-(4-phenoxybenzyl)-1-benzothiophene-2-carboxamide

  • Molecular FormulaC22H16ClNO2S
  • Average mass393.886 Da
  • Monoisotopic mass393.059021 Da
  • ChemSpider ID22745166

More details:

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

3-Chlor-N-(4-phenoxybenzyl)-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
3-Chloro-N-(4-phenoxybenzyl)-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
3-Chloro-N-(4-phénoxybenzyl)-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(4-phenoxyphenyl)methyl]- [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: 596.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.3±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 111.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 27340.36
ACD/KOC (pH 5.5): 52173.41
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 27340.18
ACD/KOC (pH 7.4): 52173.06
Polar Surface Area: 67 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 296.6±3.0 cm3

Click to predict properties on the Chemicalize site


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