ChemSpider 2D Image | (2R)-2-Methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid | C24H23NO5S

(2R)-2-Methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid

  • Molecular FormulaC24H23NO5S
  • Average mass437.508 Da
  • Monoisotopic mass437.129700 Da
  • ChemSpider ID24701471

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid [ACD/IUPAC Name]
(2R)-2-Methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-méthoxy-3-{4-[2-(5-méthyl-2-phényl-1,3-oxazol-4-yl)éthoxy]-1-benzothiophén-7-yl}propanoïque [French] [ACD/IUPAC Name]
Benzo[b]thiophene-7-propanoic acid, α-methoxy-4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-, (αR)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL482993/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 665.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.1±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 120.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 45.93
ACD/KOC (pH 5.5): 149.41
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 4.29
Polar Surface Area: 110 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 339.0±3.0 cm3

Click to predict properties on the Chemicalize site


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