ChemSpider 2D Image | 2-(4-Fluorophenyl)-N-(2-methyl-1-oxo-1-{[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino}-2-butanyl)-1,3-dioxo-5-isoindolinecarboxamide | C31H27FN4O4S

2-(4-Fluorophenyl)-N-(2-methyl-1-oxo-1-{[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino}-2-butanyl)-1,3-dioxo-5-isoindolinecarboxamide

  • Molecular FormulaC31H27FN4O4S
  • Average mass570.634 Da
  • Monoisotopic mass570.173706 Da
  • ChemSpider ID121092243

More details:

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

1H-Isoindole-5-carboxamide, 2-(4-fluorophenyl)-2,3-dihydro-N-[1-methyl-1-[[[2-(2-phenyl-4-thiazolyl)ethyl]amino]carbonyl]propyl]-1,3-dioxo- [ACD/Index Name]
2-(4-Fluorophenyl)-N-(2-methyl-1-oxo-1-{[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino}-2-butanyl)-1,3-dioxo-5-isoindolinecarboxamide [ACD/IUPAC Name]
2-(4-Fluorophényl)-N-(2-méthyl-1-oxo-1-{[2-(2-phényl-1,3-thiazol-4-yl)éthyl]amino}-2-butanyl)-1,3-dioxo-5-isoindolinecarboxamide [French] [ACD/IUPAC Name]
2-(4-Fluorphenyl)-N-(2-methyl-1-oxo-1-{[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino}-2-butanyl)-1,3-dioxo-5-isoindolincarboxamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 152.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 668.07
ACD/KOC (pH 5.5): 3660.67
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 668.33
ACD/KOC (pH 7.4): 3662.09
Polar Surface Area: 137 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 425.0±3.0 cm3

Click to predict properties on the Chemicalize site


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