ChemSpider 2D Image | N-(3-Chloro-4-fluorophenyl)-6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanamide | C23H23ClFN3O3

N-(3-Chloro-4-fluorophenyl)-6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanamide

  • Molecular FormulaC23H23ClFN3O3
  • Average mass443.898 Da
  • Monoisotopic mass443.141205 Da
  • ChemSpider ID22881331

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Imidazo[1,5-b]isoquinoline-2(3H)-hexanamide, N-(3-chloro-4-fluorophenyl)-1,5,10,10a-tetrahydro-1,3-dioxo-, (10aS)- [ACD/Index Name]
N-(3-Chlor-4-fluorphenyl)-6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isochinolin-2(3H)-yl]hexanamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-6-[(10aS)-1,3-dioxo-1,5,10,10a-tétrahydroimidazo[1,5-b]isoquinoléin-2(3H)-yl]hexanamide [French] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanamide [ACD/IUPAC Name]
1014085-03-0 [RN]
6-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-(3-chloro-4-fluorophenyl)hexanamide

    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: 1.642
    Molar Refractivity: 115.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.57
    ACD/LogD (pH 5.5): 4.39
    ACD/BCF (pH 5.5): 1280.99
    ACD/KOC (pH 5.5): 5834.19
    ACD/LogD (pH 7.4): 4.39
    ACD/BCF (pH 7.4): 1280.99
    ACD/KOC (pH 7.4): 5834.20
    Polar Surface Area: 70 Å2
    Polarizability: 45.6±0.5 10-24cm3
    Surface Tension: 62.7±5.0 dyne/cm
    Molar Volume: 318.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement