ChemSpider 2D Image | Ethyl 2-{[4-(2-methyl-2-propanyl)phenyl]amino}-4-oxo-4,5-dihydro-3-thiophenecarboxylate | C17H21NO3S

Ethyl 2-{[4-(2-methyl-2-propanyl)phenyl]amino}-4-oxo-4,5-dihydro-3-thiophenecarboxylate

  • Molecular FormulaC17H21NO3S
  • Average mass319.418 Da
  • Monoisotopic mass319.124207 Da
  • ChemSpider ID30832795

More details:

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

2-{[4-(2-Méthyl-2-propanyl)phényl]amino}-4-oxo-4,5-dihydro-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[4-(1,1-dimethylethyl)phenyl]amino]-4,5-dihydro-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-{[4-(2-methyl-2-propanyl)phenyl]amino}-4-oxo-4,5-dihydro-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-{[4-(2-methyl-2-propanyl)phenyl]amino}-4-oxo-4,5-dihydro-3-thiophencarboxylat [German] [ACD/IUPAC 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: 435.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.1±28.7 °C
Index of Refraction: 1.606
Molar Refractivity: 89.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 220.49
ACD/KOC (pH 5.5): 1655.80
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 220.49
ACD/KOC (pH 7.4): 1655.80
Polar Surface Area: 81 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 259.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement