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Search term: GTAKUDOXSIPAPS (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-[2,5-Diethoxy-4-(4-morpholinyl)phenyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanamide | C27H33N3O6S

N-[2,5-Diethoxy-4-(4-morpholinyl)phenyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanamide

  • Molecular FormulaC27H33N3O6S
  • Average mass527.632 Da
  • Monoisotopic mass527.208984 Da
  • ChemSpider ID3549346

More details:






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

2H-Isoindole-2-acetamide, N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-1,3-dihydro-α-[2-(methylthio)ethyl]-1,3-dioxo- [ACD/Index Name]
N-[2,5-Diethoxy-4-(4-morpholinyl)phenyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanamid [German] [ACD/IUPAC Name]
N-[2,5-Diethoxy-4-(4-morpholinyl)phenyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanamide [ACD/IUPAC Name]
N-[2,5-Diéthoxy-4-(4-morpholinyl)phényl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(méthylsulfanyl)butanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 747.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 405.9±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 142.84
ACD/KOC (pH 5.5): 696.68
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 934.22
ACD/KOC (pH 7.4): 4556.37
Polar Surface Area: 123 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 407.0±3.0 cm3

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