Found 221 results

Search term: MF = 'C_{33}H_{26}N_{2}O_{4}'
ChemSpider 2D Image | (1R,2S,3S,12aR)-3-Acetyl-2-(4-methoxybenzoyl)-2,3-dihydro-12aH-spiro[benzo[f]pyrrolo[1,2-a]quinoline-1,3'-indol]-2'(1'H)-one | C33H26N2O4

(1R,2S,3S,12aR)-3-Acetyl-2-(4-methoxybenzoyl)-2,3-dihydro-12aH-spiro[benzo[f]pyrrolo[1,2-a]quinoline-1,3'-indol]-2'(1'H)-one

  • Molecular FormulaC33H26N2O4
  • Average mass514.570 Da
  • Monoisotopic mass514.189270 Da
  • ChemSpider ID22874267

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3S,12aR)-3-Acetyl-2-(4-methoxybenzoyl)-2,3-dihydro-12aH-spiro[benzo[f]pyrrolo[1,2-a]quinoline-1,3'-indol]-2'(1'H)-one [ACD/IUPAC Name]
Spiro[benzo[f]pyrrolo[1,2-a]quinoline-1(12aH),3'-[3H]indol]-2'(1'H)-one, 3-acetyl-2,3-dihydro-2-(4-methoxybenzoyl)-, (1R,2S,3S,12aR)- [ACD/Index Name]
(2'S,3R,3'S,12'aR)-3'-acetyl-2'-(4-methoxybenzoyl)spiro[1H-indole-3,1'-3,12a-dihydro-2H-naphtho[2,1-e]indolizine]-2-one
1214631-08-9 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 781.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.6±3.0 kJ/mol
    Flash Point: 426.1±32.9 °C
    Index of Refraction: 1.734
    Molar Refractivity: 148.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 6.01
    ACD/LogD (pH 5.5): 5.11
    ACD/BCF (pH 5.5): 4538.52
    ACD/KOC (pH 5.5): 14428.21
    ACD/LogD (pH 7.4): 5.11
    ACD/BCF (pH 7.4): 4538.49
    ACD/KOC (pH 7.4): 14428.10
    Polar Surface Area: 76 Å2
    Polarizability: 58.7±0.5 10-24cm3
    Surface Tension: 70.8±5.0 dyne/cm
    Molar Volume: 369.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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