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Search term: MF = 'C_{29}H_{27}NO_{6}S'
ChemSpider 2D Image | Ethyl 2-({2-[2-(6,7-dihydro-5H-indeno[5,6-b]furan-3-yl)acetoxy]propanoyl}amino)-5-phenyl-3-thiophenecarboxylate | C29H27NO6S

Ethyl 2-({2-[2-(6,7-dihydro-5H-indeno[5,6-b]furan-3-yl)acetoxy]propanoyl}amino)-5-phenyl-3-thiophenecarboxylate

  • Molecular FormulaC29H27NO6S
  • Average mass517.593 Da
  • Monoisotopic mass517.155884 Da
  • ChemSpider ID3151632

More details:

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

2-({2-[2-(6,7-Dihydro-5H-indéno[5,6-b]furan-3-yl)acétoxy]propanoyl}amino)-5-phényl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5H-Indeno[5,6-b]furan-3-acetic acid, 6,7-dihydro-, 2-[[3-(ethoxycarbonyl)-5-phenyl-2-thienyl]amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]
Ethyl 2-({2-[2-(6,7-dihydro-5H-indeno[5,6-b]furan-3-yl)acetoxy]propanoyl}amino)-5-phenyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-({2-[2-(6,7-dihydro-5H-indeno[5,6-b]furan-3-yl)acetoxy]propanoyl}amino)-5-phenyl-3-thiophencarboxylat [German] [ACD/IUPAC 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: 723.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 391.2±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 142.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 6.92
ACD/BCF (pH 5.5): 106161.52
ACD/KOC (pH 5.5): 137773.56
ACD/LogD (pH 7.4): 6.92
ACD/BCF (pH 7.4): 106158.48
ACD/KOC (pH 7.4): 137769.63
Polar Surface Area: 123 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 391.8±3.0 cm3

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