ChemSpider 2D Image | Ethyl 5-acetyl-2-{[4-(2-bromo-4-isopropylphenoxy)butanoyl]amino}-4-methyl-3-thiophenecarboxylate | C23H28BrNO5S

Ethyl 5-acetyl-2-{[4-(2-bromo-4-isopropylphenoxy)butanoyl]amino}-4-methyl-3-thiophenecarboxylate

  • Molecular FormulaC23H28BrNO5S
  • Average mass510.441 Da
  • Monoisotopic mass509.087158 Da
  • ChemSpider ID12154823

More details:

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

3-Thiophenecarboxylic acid, 5-acetyl-2-[[4-[2-bromo-4-(1-methylethyl)phenoxy]-1-oxobutyl]amino]-4-methyl-, ethyl ester [ACD/Index Name]
5-Acétyl-2-{[4-(2-bromo-4-isopropylphénoxy)butanoyl]amino}-4-méthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-acetyl-2-{[4-(2-bromo-4-isopropylphenoxy)butanoyl]amino}-4-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl 5-acetyl-2-{[4-(2-bromo-4-isopropylphenoxy)butanoyl]amino}-4-methylthiophene-3-carboxylate
Ethyl-5-acetyl-2-{[4-(2-brom-4-isopropylphenoxy)butanoyl]amino}-4-methyl-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: 661.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.9±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 127.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23234.42
ACD/KOC (pH 5.5): 46436.82
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23234.39
ACD/KOC (pH 7.4): 46436.77
Polar Surface Area: 110 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 381.9±3.0 cm3

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