ChemSpider 2D Image | 4-(Ethylsulfonyl)-2-({[2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)butanoic acid | C19H24N2O8S

4-(Ethylsulfonyl)-2-({[2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)butanoic acid

  • Molecular FormulaC19H24N2O8S
  • Average mass440.467 Da
  • Monoisotopic mass440.125336 Da
  • ChemSpider ID34709540

More details:

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

4-(Ethylsulfonyl)-2-({[2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)butanoic acid [ACD/IUPAC Name]
4-(Ethylsulfonyl)-2-({[2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)butansäure [German] [ACD/IUPAC Name]
Acide 4-(éthylsulfonyl)-2-({[2-(3-méthoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[[2,3-dihydro-2-(3-methoxypropyl)-1,3-dioxo-1H-isoindol-5-yl]carbonyl]amino]-4-(ethylsulfonyl)- [ACD/Index 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: 739.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 400.9±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 318.4±3.0 cm3

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