Found 812 results

Search term: MF = 'C_{26}H_{20}ClFN_{2}O_{4}'
ChemSpider 2D Image | (3'S,4'S)-3'-(1,3-Benzodioxol-5-ylcarbonyl)-5-chloro-4'-(4-fluorophenyl)-1'-methylspiro[indole-3,2'-pyrrolidin]-2(1H)-one | C26H20ClFN2O4

(3'S,4'S)-3'-(1,3-Benzodioxol-5-ylcarbonyl)-5-chloro-4'-(4-fluorophenyl)-1'-methylspiro[indole-3,2'-pyrrolidin]-2(1H)-one

  • Molecular FormulaC26H20ClFN2O4
  • Average mass478.899 Da
  • Monoisotopic mass478.109558 Da
  • ChemSpider ID22882640

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3'S,4'S)-3'-(1,3-Benzodioxol-5-ylcarbonyl)-5-chlor-4'-(4-fluorphenyl)-1'-methylspiro[indole-3,2'-pyrrolidin]-2(1H)-on [German] [ACD/IUPAC Name]
(3'S,4'S)-3'-(1,3-Benzodioxol-5-ylcarbonyl)-5-chloro-4'-(4-fluorophenyl)-1'-methylspiro[indole-3,2'-pyrrolidin]-2(1H)-one [ACD/IUPAC Name]
(3'S,4'S)-3'-(1,3-Benzodioxol-5-ylcarbonyl)-5-chloro-4'-(4-fluorophényl)-1'-méthylspiro[indole-3,2'-pyrrolidin]-2(1H)-one [French] [ACD/IUPAC Name]
Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one, 3'-(1,3-benzodioxol-5-ylcarbonyl)-5-chloro-4'-(4-fluorophenyl)-1'-methyl-, (3'S,4'S)- [ACD/Index Name]
(3S,4'S)-3'-(1,3-benzodioxole-5-carbonyl)-5-chloro-4'-(4-fluorophenyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
1014065-67-8 [RN]
1212450-00-4 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 679.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.7±3.0 kJ/mol
    Flash Point: 364.4±31.5 °C
    Index of Refraction: 1.700
    Molar Refractivity: 123.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.03
    ACD/LogD (pH 5.5): 4.07
    ACD/BCF (pH 5.5): 706.32
    ACD/KOC (pH 5.5): 3680.42
    ACD/LogD (pH 7.4): 4.12
    ACD/BCF (pH 7.4): 796.42
    ACD/KOC (pH 7.4): 4149.92
    Polar Surface Area: 68 Å2
    Polarizability: 48.9±0.5 10-24cm3
    Surface Tension: 69.4±5.0 dyne/cm
    Molar Volume: 318.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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