ChemSpider 2D Image | Methyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-4-(5,6,7,8-tetrahydro-2-naphthalenyl)-3-thiophenecarboxylate | C26H25Cl2NO4S

Methyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-4-(5,6,7,8-tetrahydro-2-naphthalenyl)-3-thiophenecarboxylate

  • Molecular FormulaC26H25Cl2NO4S
  • Average mass518.452 Da
  • Monoisotopic mass517.088135 Da
  • ChemSpider ID12177255

More details:

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

2-{[4-(2,4-Dichlorophénoxy)butanoyl]amino}-4-(5,6,7,8-tétrahydro-2-naphtalényl)-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-4-(5,6,7,8-tetrahydro-2-naphthalenyl)-, methyl ester [ACD/Index Name]
Methyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-4-(5,6,7,8-tetrahydro-2-naphthalenyl)-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
Methyl-2-{[4-(2,4-dichlorphenoxy)butanoyl]amino}-4-(5,6,7,8-tetrahydro-2-naphthalinyl)-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: 703.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.3±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 172788.56
ACD/KOC (pH 5.5): 195249.45
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 172788.56
ACD/KOC (pH 7.4): 195249.45
Polar Surface Area: 93 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 387.3±3.0 cm3

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