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Search term: GEVWCNOQZDSSIG (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-Methoxybenzyl 3-(4-piperidinyloxy)-1-benzothiophene-2-carboxylate | C22H23NO4S

3-Methoxybenzyl 3-(4-piperidinyloxy)-1-benzothiophene-2-carboxylate

  • Molecular FormulaC22H23NO4S
  • Average mass397.487 Da
  • Monoisotopic mass397.134766 Da
  • ChemSpider ID29395528

More details:






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

3-(4-Pipéridinyloxy)-1-benzothiophène-2-carboxylate de 3-méthoxybenzyle [French] [ACD/IUPAC Name]
3-Methoxybenzyl 3-(4-piperidinyloxy)-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
3-Methoxybenzyl 3-(Piperidin-4-Yloxy)-1-Benzothiophene-2-Carboxylate
3-Methoxybenzyl-3-(4-piperidinyloxy)-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-(4-piperidinyloxy)-, (3-methoxyphenyl)methyl ester [ACD/Index Name]
YBN

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

Density: 1.2±0.1 g/cm3
Boiling Point: 574.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 301.1±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 111.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 3.75
ACD/KOC (pH 5.5): 12.08
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 28.27
ACD/KOC (pH 7.4): 91.16
Polar Surface Area: 85 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 318.2±3.0 cm3

Click to predict properties on the Chemicalize site






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