ChemSpider 2D Image | N~3~-[(3-Chloro-4-fluorophenyl)sulfonyl]-N-(4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxalin-2-yl)-beta-alaninamide | C20H20ClFN4O4S

N3-[(3-Chloro-4-fluorophenyl)sulfonyl]-N-(4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxalin-2-yl)-β-alaninamide

  • Molecular FormulaC20H20ClFN4O4S
  • Average mass466.914 Da
  • Monoisotopic mass466.087769 Da
  • ChemSpider ID39437785

More details:

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

N3-[(3-Chlor-4-fluorphenyl)sulfonyl]-N-(4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]chinoxalin-2-yl)-β-alaninamid [German] [ACD/IUPAC Name]
N3-[(3-Chloro-4-fluorophenyl)sulfonyl]-N-(4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxalin-2-yl)-β-alaninamide [ACD/IUPAC Name]
N3-[(3-Chloro-4-fluorophényl)sulfonyl]-N-(4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxalin-2-yl)-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-[[(3-chloro-4-fluorophenyl)sulfonyl]amino]-N-(1,2,3,3a,4,5-hexahydro-4-oxopyrrolo[1,2-a]quinoxalin-2-yl)- [ACD/Index Name]
3-(3-chloro-4-fluorophenylsulfonamido)-N-(4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxalin-2-yl)propanamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 56.86
ACD/KOC (pH 5.5): 614.57
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.96
ACD/KOC (pH 7.4): 658.88
Polar Surface Area: 116 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 301.6±5.0 cm3

Click to predict properties on the Chemicalize site


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