Found 494 results

Search term: MF = 'C_{31}H_{26}N_{4}O_{4}'
ChemSpider 2D Image | (3a'R,6a'S)-5'-(4-Acetylphenyl)-3'-isopropyl-3a',6a'-dihydro-2'H,12H-spiro[indolo[2,1-b]quinazoline-6,1'-pyrrolo[3,4-c]pyrrole]-4',6',12(3'H,5'H)-trione | C31H26N4O4

(3a'R,6a'S)-5'-(4-Acetylphenyl)-3'-isopropyl-3a',6a'-dihydro-2'H,12H-spiro[indolo[2,1-b]quinazoline-6,1'-pyrrolo[3,4-c]pyrrole]-4',6',12(3'H,5'H)-trione

  • Molecular FormulaC31H26N4O4
  • Average mass518.563 Da
  • Monoisotopic mass518.195435 Da
  • ChemSpider ID22884056

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3a'R,6a'S)-5'-(4-Acetylphenyl)-3'-isopropyl-3a',6a'-dihydro-2'H,12H-spiro[indolo[2,1-b]quinazoline-6,1'-pyrrolo[3,4-c]pyrrole]-4',6',12(3'H,5'H)-trione [ACD/IUPAC Name]
Spiro[indolo[2,1-b]quinazoline-6(12H),1'(2'H)-pyrrolo[3,4-c]pyrrole]-4',6',12(5'H)-trione, 5'-(4-acetylphenyl)-2',3',3'a,6'a-tetrahydro-3'-(1-methylethyl)-, (3a'R,6a'S)- [ACD/Index Name]
(3aS,6aR)-5-(4-acetylphenyl)-1-propan-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione
1212454-51-7 [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: 793.9±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 115.5±3.0 kJ/mol
    Flash Point: 434.0±35.7 °C
    Index of Refraction: 1.755
    Molar Refractivity: 145.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 3.12
    ACD/LogD (pH 5.5): 2.81
    ACD/BCF (pH 5.5): 80.27
    ACD/KOC (pH 5.5): 798.85
    ACD/LogD (pH 7.4): 2.82
    ACD/BCF (pH 7.4): 81.85
    ACD/KOC (pH 7.4): 814.58
    Polar Surface Area: 99 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 61.2±7.0 dyne/cm
    Molar Volume: 354.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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