ChemSpider 2D Image | N-{1-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}-2-(4-fluorophenyl)-1,3-dioxo-5-isoindolinecarboxamide | C31H27FN4O4S

N-{1-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}-2-(4-fluorophenyl)-1,3-dioxo-5-isoindolinecarboxamide

  • Molecular FormulaC31H27FN4O4S
  • Average mass570.634 Da
  • Monoisotopic mass570.173706 Da
  • ChemSpider ID122305160

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[[2-(2-benzothiazolyl)-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-2-(4-fluorophenyl)-2,3-dihydro-1,3-dioxo- [ACD/Index Name]
N-{1-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}-2-(4-fluorophenyl)-1,3-dioxo-5-isoindolinecarboxamide [ACD/IUPAC Name]
N-{1-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-3-méthyl-1-oxo-2-butanyl}-2-(4-fluorophényl)-1,3-dioxo-5-isoindolinecarboxamide [French] [ACD/IUPAC Name]
N-{1-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}-2-(4-fluorphenyl)-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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 441.70
ACD/KOC (pH 5.5): 2722.56
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 441.71
ACD/KOC (pH 7.4): 2722.68
Polar Surface Area: 128 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 408.6±3.0 cm3

Click to predict properties on the Chemicalize site


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