ChemSpider 2D Image | Ethyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoyl]amino}-4-(4-isopropylphenyl)-3-thiophenecarboxylate | C29H30N2O7S2

Ethyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoyl]amino}-4-(4-isopropylphenyl)-3-thiophenecarboxylate

  • Molecular FormulaC29H30N2O7S2
  • Average mass582.688 Da
  • Monoisotopic mass582.149414 Da
  • ChemSpider ID120239291

More details:

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

2-{[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(méthylsulfonyl)butanoyl]amino}-4-(4-isopropylphényl)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-4-(methylsulfonyl)-1-oxobutyl]amino]-4-[4-(1-methylethyl)phenyl]-, ethyl ester [ACD/Index Name]
Ethyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoyl]amino}-4-(4-isopropylphenyl)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoyl]amino}-4-(4-isopropylphenyl)-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: 798.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 436.9±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 151.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4408.75
ACD/KOC (pH 5.5): 14131.69
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4408.70
ACD/KOC (pH 7.4): 14131.54
Polar Surface Area: 164 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 428.9±3.0 cm3

Click to predict properties on the Chemicalize site


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