ChemSpider 2D Image | (1R,2S)-2-(3-Iodo-1H-indazol-6-yl)-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one | C18H14IN3O2

(1R,2S)-2-(3-Iodo-1H-indazol-6-yl)-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one

  • Molecular FormulaC18H14IN3O2
  • Average mass431.227 Da
  • Monoisotopic mass431.013062 Da
  • ChemSpider ID64863378

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-(3-Iod-1H-indazol-6-yl)-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-on [German] [ACD/IUPAC Name]
(1R,2S)-2-(3-Iodo-1H-indazol-6-yl)-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one [ACD/IUPAC Name]
(1R,2S)-2-(3-Iodo-1H-indazol-6-yl)-5'-méthoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one [French] [ACD/IUPAC Name]
Spiro[cyclopropane-1,3'-[3H]indol]-2'(1'H)-one, 2-(3-iodo-1H-indazol-6-yl)-5'-methoxy-, (1R,2S)- [ACD/Index Name]
(1R,2S)-2-(3-iodo-1H-indazol-6-yl)-5'-methoxyspiro[cyclopropane-1,3'-indolin]-2'-one
(1R,2S)-2-(3-iodo-1H-indazol-6-yl)-5-methoxyspiro[cyclopropane-1,3-indolin]-2-one(WXG02045)
(2'S,3R)-2'-(3-iodo-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
1247001-86-0 [RN]
PLK4-IN-3

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 649.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.7±3.0 kJ/mol
    Flash Point: 346.6±31.5 °C
    Index of Refraction: 1.794
    Molar Refractivity: 98.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.17
    ACD/LogD (pH 5.5): 3.75
    ACD/BCF (pH 5.5): 417.39
    ACD/KOC (pH 5.5): 2614.44
    ACD/LogD (pH 7.4): 3.75
    ACD/BCF (pH 7.4): 417.41
    ACD/KOC (pH 7.4): 2614.58
    Polar Surface Area: 67 Å2
    Polarizability: 38.9±0.5 10-24cm3
    Surface Tension: 83.9±5.0 dyne/cm
    Molar Volume: 230.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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