Found 23 results

Search term: MF = 'C_{26}H_{22}BrClN_{2}O_{5}S'
ChemSpider 2D Image | Ethyl 2-{[4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate | C26H22BrClN2O5S

Ethyl 2-{[4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate

  • Molecular FormulaC26H22BrClN2O5S
  • Average mass589.885 Da
  • Monoisotopic mass588.012146 Da
  • ChemSpider ID120255158

More details:

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

2-{[4-(5-Bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-4-(4-chlorophényl)-5-méthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[4-(5-bromo-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxobutyl]amino]-4-(4-chlorophenyl)-5-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-{[4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-{[4-(5-brom-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-4-(4-chlorphenyl)-5-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 719.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.6±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 142.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.29
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37781.70
ACD/KOC (pH 5.5): 65765.98
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37781.70
ACD/KOC (pH 7.4): 65765.98
Polar Surface Area: 121 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 387.7±3.0 cm3

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