ChemSpider 2D Image | N-[(4-{[6-(8-Fluoro-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(2-methyl-2-propanyl)-4-pyrimidinyl]amino}phenyl)sulfonyl]acetamide | C28H31FN6O4S

N-[(4-{[6-(8-Fluoro-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(2-methyl-2-propanyl)-4-pyrimidinyl]amino}phenyl)sulfonyl]acetamide

  • Molecular FormulaC28H31FN6O4S
  • Average mass566.647 Da
  • Monoisotopic mass566.211182 Da
  • ChemSpider ID121423721

More details:

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

Acetamide, N-[[4-[[2-(1,1-dimethylethyl)-6-(8-fluoro-1,3,4,6,7,11b-hexahydro-4-oxo-2H-pyrazino[2,1-a]isoquinolin-2-yl)-4-pyrimidinyl]amino]phenyl]sulfonyl]- [ACD/Index Name]
N-[(4-{[6-(8-Fluor-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isochinolin-2-yl)-2-(2-methyl-2-propanyl)-4-pyrimidinyl]amino}phenyl)sulfonyl]acetamid [German] [ACD/IUPAC Name]
N-[(4-{[6-(8-Fluoro-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoléin-2-yl)-2-(2-méthyl-2-propanyl)-4-pyrimidinyl]amino}phényl)sulfonyl]acétamide [French] [ACD/IUPAC Name]
N-[(4-{[6-(8-Fluoro-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(2-methyl-2-propanyl)-4-pyrimidinyl]amino}phenyl)sulfonyl]acetamide [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: 1.666
Molar Refractivity: 147.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 16.52
ACD/KOC (pH 5.5): 126.18
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 23.47
Polar Surface Area: 133 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 396.5±5.0 cm3

Click to predict properties on the Chemicalize site


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