Found 64 results

Search term: MF = 'C_{37}H_{32}N_{2}O_{4}'
ChemSpider 2D Image | (2'S,3S,3'S,10b'R)-2'-(4-Isopropoxybenzoyl)-3'-(4-methylbenzoyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one | C37H32N2O4

(2'S,3S,3'S,10b'R)-2'-(4-Isopropoxybenzoyl)-3'-(4-methylbenzoyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

  • Molecular FormulaC37H32N2O4
  • Average mass568.661 Da
  • Monoisotopic mass568.236206 Da
  • ChemSpider ID23487769

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2'S,3S,3'S,10b'R)-2'-(4-Isopropoxybenzoyl)-3'-(4-methylbenzoyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(10'bH)-pyrrolo[2,1-a]isoquinolin]-2(1H)-one, 2',3'-dihydro-3'-(4-methylbenzoyl)-2'-[4-(1-methylethoxy)benzoyl]-, (2'S,3S,3'S,10b'R)- [ACD/Index Name]
(2'S,3S,3'S,10'bR)-3'-(4-methylbenzoyl)-2'-(4-propan-2-yloxybenzoyl)spiro[1H-indole-3,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline]-2-one
(2'S,3S,3'S,10b'R)-3'-[(4-methylphenyl)carbonyl]-2'-{[4-(propan-2-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
1212155-39-9 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 801.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 116.5±3.0 kJ/mol
    Flash Point: 438.4±34.3 °C
    Index of Refraction: 1.696
    Molar Refractivity: 164.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 9.31
    ACD/LogD (pH 5.5): 7.60
    ACD/BCF (pH 5.5): 351302.31
    ACD/KOC (pH 5.5): 324465.47
    ACD/LogD (pH 7.4): 7.60
    ACD/BCF (pH 7.4): 351307.72
    ACD/KOC (pH 7.4): 324470.47
    Polar Surface Area: 76 Å2
    Polarizability: 65.2±0.5 10-24cm3
    Surface Tension: 65.8±5.0 dyne/cm
    Molar Volume: 427.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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