ChemSpider 2D Image | Ethyl 4,5-dimethyl-2-{[({(2Z)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetyl]amino}-3-thiophenecarboxylate | C26H25NO6S2

Ethyl 4,5-dimethyl-2-{[({(2Z)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetyl]amino}-3-thiophenecarboxylate

  • Molecular FormulaC26H25NO6S2
  • Average mass511.610 Da
  • Monoisotopic mass511.112335 Da
  • ChemSpider ID124472027

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Thiophenecarboxylic acid, 2-[[2-[[(2Z)-2,3-dihydro-4-methyl-2-[(3-methyl-2-thienyl)methylene]-3-oxo-6-benzofuranyl]oxy]acetyl]amino]-4,5-dimethyl-, ethyl ester [ACD/Index Name]
4,5-Diméthyl-2-{[2-({(2Z)-4-méthyl-2-[(3-méthyl-2-thiényl)méthylène]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acétyl]amino}-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4,5-dimethyl-2-{[({(2Z)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetyl]amino}-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-4,5-dimethyl-2-{[({(2Z)-4-methyl-2-[(3-methyl-2-thienyl)methylen]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetyl]amino}-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 732.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.0±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9928.40
ACD/KOC (pH 5.5): 25267.13
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9928.28
ACD/KOC (pH 7.4): 25266.80
Polar Surface Area: 147 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 373.8±3.0 cm3

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