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ChemSpider 2D Image | (2S)-2-Ethoxy-3-(4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methoxy}phenyl)propanoic acid | C21H23NO5S

(2S)-2-Ethoxy-3-(4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methoxy}phenyl)propanoic acid

  • Molecular FormulaC21H23NO5S
  • Average mass401.476 Da
  • Monoisotopic mass401.129700 Da
  • ChemSpider ID26628811

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Ethoxy-3-(4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methoxy}phenyl)propanoic acid [ACD/IUPAC Name]
(2S)-2-Ethoxy-3-(4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methoxy}phenyl)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-éthoxy-3-(4-{[5-méthyl-2-(3-méthyl-2-thiényl)-1,3-oxazol-4-yl]méthoxy}phényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-ethoxy-4-[[5-methyl-2-(3-methyl-2-thienyl)-4-oxazolyl]methoxy]-, (αS)- [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: 595.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 313.8±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 4.20
ACD/KOC (pH 5.5): 27.92
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 321.2±3.0 cm3

Click to predict properties on the Chemicalize site


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