ChemSpider 2D Image | (1'S,2'S,3R,3a'R)-2'-Benzoyl-1'-(4-nitrobenzoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one | C33H23N3O5

(1'S,2'S,3R,3a'R)-2'-Benzoyl-1'-(4-nitrobenzoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

  • Molecular FormulaC33H23N3O5
  • Average mass541.553 Da
  • Monoisotopic mass541.163757 Da
  • ChemSpider ID22870235

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1'S,2'S,3R,3a'R)-2'-Benzoyl-1'-(4-nitrobenzoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one [ACD/IUPAC Name]
Spiro[3H-indole-3,3'(3'aH)-pyrrolo[1,2-a]quinolin]-2(1H)-one, 2'-benzoyl-1',2'-dihydro-1'-(4-nitrobenzoyl)-, (1'S,2'S,3R,3a'R)- [ACD/Index Name]
(1'S,2'S,3R,3a'R)-1'-[(4-nitrophenyl)carbonyl]-2'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
(1'S,2'S,3R,3'aR)-2'-benzoyl-1'-(4-nitrobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
1177146-82-5 [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: 784.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 114.1±3.0 kJ/mol
    Flash Point: 428.0±32.9 °C
    Index of Refraction: 1.751
    Molar Refractivity: 150.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 6.13
    ACD/LogD (pH 5.5): 5.07
    ACD/BCF (pH 5.5): 4196.58
    ACD/KOC (pH 5.5): 13641.28
    ACD/LogD (pH 7.4): 5.07
    ACD/BCF (pH 7.4): 4196.78
    ACD/KOC (pH 7.4): 13641.91
    Polar Surface Area: 112 Å2
    Polarizability: 59.5±0.5 10-24cm3
    Surface Tension: 79.3±5.0 dyne/cm
    Molar Volume: 368.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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