ChemSpider 2D Image | 3-{2-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl}-2-(octylsulfanyl)propanoic acid | C30H35NO4S

3-{2-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl}-2-(octylsulfanyl)propanoic acid

  • Molecular FormulaC30H35NO4S
  • Average mass505.668 Da
  • Monoisotopic mass505.228668 Da
  • ChemSpider ID8521525

More details:






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

3-{2-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl}-2-(octylsulfanyl)propanoic acid [ACD/IUPAC Name]
3-{2-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl}-2-(octylsulfanyl)propansäure [German] [ACD/IUPAC Name]
5-Benzofuranpropanoic acid, 2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-α-(octylthio)- [ACD/Index Name]
Acide 3-{2-[(5-méthyl-2-phényl-1,3-oxazol-4-yl)méthyl]-1-benzofuran-5-yl}-2-(octylsulfanyl)propanoïque [French] [ACD/IUPAC Name]
3-[2-(5-Methyl-2-phenyl-oxazol-4-ylmethyl)-benzofuran-5-yl]-2-octylsulfanyl-propionic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.2±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 9.11
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 39066.24
ACD/KOC (pH 5.5): 19839.13
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 1004.38
ACD/KOC (pH 7.4): 510.06
Polar Surface Area: 102 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 433.7±3.0 cm3

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