ChemSpider 2D Image | (1R,2S)-2-{3-[(E)-2-(4-{[(2R,6S)-2,6-Dimethyl-4-morpholinyl]methyl}phenyl)vinyl]-1H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one | C33H34N4O3

(1R,2S)-2-{3-[(E)-2-(4-{[(2R,6S)-2,6-Dimethyl-4-morpholinyl]methyl}phenyl)vinyl]-1H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one

  • Molecular FormulaC33H34N4O3
  • Average mass534.648 Da
  • Monoisotopic mass534.263062 Da
  • ChemSpider ID34979947

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S)-2-{3-[(E)-2-(4-{[(2R,6S)-2,6-Dimethyl-4-morpholinyl]methyl}phenyl)vinyl]-1H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-on [German] [ACD/IUPAC Name]
(1R,2S)-2-{3-[(E)-2-(4-{[(2R,6S)-2,6-Dimethyl-4-morpholinyl]methyl}phenyl)vinyl]-1H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one [ACD/IUPAC Name]
(1R,2S)-2-{3-[(E)-2-(4-{[(2R,6S)-2,6-Diméthyl-4-morpholinyl]méthyl}phényl)vinyl]-1H-indazol-6-yl}-5'-méthoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one [French] [ACD/IUPAC Name]
(1R,3S)-3-{3-[(1E)-2-(4-{[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl}phenyl)ethenyl]-1H-indazol-6-yl}-5'-methoxy-1',2'-dihydrospiro[cyclopropane-1,3'-indol]-2'-one
(1R,3S)-3-{3-[(1E)-2-(4-{[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl}phenyl)ethenyl]-1H-indazol-6-yl}-5'-methoxy-1'H-spiro[cyclopropane-1,3'-indol]-2'-one
1338806-73-7 [RN]
1338806-76-0 [RN]
Spiro[cyclopropane-1,3'-[3H]indol]-2'(1'H)-one, 2-[3-[(E)-2-[4-[[(2R,6S)-2,6-dimethyl-4-morpholinyl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5'-methoxy-, (1R,2S)- [ACD/Index Name]
(1S,2R)-2-[3-[(1E)-2-[4-[[(2R,6S)-2,6-dimethyl-4-morpholinyl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5'-methoxy-spiro[cyclopropane-1,3'-[3H]indol]-2'(1'H)-one
(2'S,3R)-2'-[3-[(E)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TL1UD860AA [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 751.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.5±3.0 kJ/mol
    Flash Point: 408.3±32.9 °C
    Index of Refraction: 1.698
    Molar Refractivity: 155.1±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 5.40
    ACD/LogD (pH 5.5): 3.87
    ACD/BCF (pH 5.5): 266.57
    ACD/KOC (pH 5.5): 876.57
    ACD/LogD (pH 7.4): 4.97
    ACD/BCF (pH 7.4): 3416.06
    ACD/KOC (pH 7.4): 11233.02
    Polar Surface Area: 79 Å2
    Polarizability: 61.5±0.5 10-24cm3
    Surface Tension: 68.3±5.0 dyne/cm
    Molar Volume: 402.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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