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Search term: KACYCSASEXQENA-IBGZPJMESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-2-Ethoxy-3-(4-{2-[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]ethoxy}phenyl)propanoic acid | C22H25NO5S

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

  • Molecular FormulaC22H25NO5S
  • Average mass415.503 Da
  • Monoisotopic mass415.145355 Da
  • ChemSpider ID26630216

  • 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-{2-[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]ethoxy}phenyl)propanoic acid [ACD/IUPAC Name]
(2S)-2-Ethoxy-3-(4-{2-[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]ethoxy}phenyl)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-éthoxy-3-(4-{2-[5-méthyl-2-(5-méthyl-2-thiényl)-1,3-oxazol-4-yl]éthoxy}phényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-ethoxy-4-[2-[5-methyl-2-(5-methyl-2-thienyl)-4-oxazolyl]ethoxy]-, (αS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 618.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 328.0±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 111.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 9.92
ACD/KOC (pH 5.5): 52.25
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
Polar Surface Area: 110 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 337.7±3.0 cm3

Click to predict properties on the Chemicalize site


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