ChemSpider 2D Image | N-[1-{[3-(1,1-Dioxidotetrahydro-3-thiophenyl)propyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]-2-(4-fluorophenyl)-1,3-dioxo-5-isoindolinecarboxamide | C27H30FN3O6S2

N-[1-{[3-(1,1-Dioxidotetrahydro-3-thiophenyl)propyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]-2-(4-fluorophenyl)-1,3-dioxo-5-isoindolinecarboxamide

  • Molecular FormulaC27H30FN3O6S2
  • Average mass575.672 Da
  • Monoisotopic mass575.156006 Da
  • ChemSpider ID121096751

More details:

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

1H-Isoindole-5-carboxamide, 2-(4-fluorophenyl)-2,3-dihydro-N-[3-(methylthio)-1-[[[3-(tetrahydro-1,1-dioxido-3-thienyl)propyl]amino]carbonyl]propyl]-1,3-dioxo- [ACD/Index Name]
N-[1-{[3-(1,1-Dioxidotetrahydro-3-thiophenyl)propyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]-2-(4-fluorophenyl)-1,3-dioxo-5-isoindolinecarboxamide [ACD/IUPAC Name]
N-[1-{[3-(1,1-Dioxidotetrahydro-3-thiophenyl)propyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]-2-(4-fluorphenyl)-1,3-dioxo-5-isoindolincarboxamid [German] [ACD/IUPAC Name]
N-[1-{[3-(1,1-Dioxydotétrahydro-3-thiophényl)propyl]amino}-4-(méthylsulfanyl)-1-oxo-2-butanyl]-2-(4-fluorophényl)-1,3-dioxo-5-isoindolinecarboxamide [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 145.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 5.99
ACD/KOC (pH 5.5): 125.36
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 5.99
ACD/KOC (pH 7.4): 125.36
Polar Surface Area: 163 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 418.5±3.0 cm3

Click to predict properties on the Chemicalize site


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