Found 1 result

Search term: YNXYTOJEFCKHEM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[2-(3-Chloro-5-fluorobenzyl)-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide | C25H21ClFNO2S

3-[2-(3-Chloro-5-fluorobenzyl)-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide

  • Molecular FormulaC25H21ClFNO2S
  • Average mass453.956 Da
  • Monoisotopic mass453.096558 Da
  • ChemSpider ID34247322

More details:

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

3-[2-(3-Chlor-5-fluorbenzyl)-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamid [German] [ACD/IUPAC Name]
3-[2-(3-Chloro-5-fluorobenzyl)-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide [ACD/IUPAC Name]
3-[2-(3-Chloro-5-fluorobenzyl)-1-benzothiophén-7-yl]-N-(2-méthoxyéthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[2-[(3-chloro-5-fluorophenyl)methyl]benzo[b]thien-7-yl]-N-(2-methoxyethyl)- [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: 627.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.2±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43710.13
ACD/KOC (pH 5.5): 72998.05
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43710.13
ACD/KOC (pH 7.4): 72998.05
Polar Surface Area: 67 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 353.6±3.0 cm3

Click to predict properties on the Chemicalize site


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