Found 64 results

Search term: MF = 'C_{37}H_{32}N_{2}O_{4}'
ChemSpider 2D Image | (2'S,3S,3'S,10b'R)-3'-(4-Methylbenzoyl)-2'-(3-propoxybenzoyl)-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)-3'-(4-Methylbenzoyl)-2'-(3-propoxybenzoyl)-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 ID23487725

  • 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)-3'-(4-Methylbenzoyl)-2'-(3-propoxybenzoyl)-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'-(3-propoxybenzoyl)-, (2'S,3S,3'S,10b'R)- [ACD/Index Name]
(2'S,3S,3'S,10'bR)-3'-(4-methylbenzoyl)-2'-(3-propoxybenzoyl)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'-[(3-propoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
1212206-00-2 [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: 788.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 114.7±3.0 kJ/mol
    Flash Point: 430.5±32.9 °C
    Index of Refraction: 1.697
    Molar Refractivity: 164.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 9.59
    ACD/LogD (pH 5.5): 7.73
    ACD/BCF (pH 5.5): 438521.75
    ACD/KOC (pH 5.5): 380282.84
    ACD/LogD (pH 7.4): 7.73
    ACD/BCF (pH 7.4): 438525.13
    ACD/KOC (pH 7.4): 380285.78
    Polar Surface Area: 76 Å2
    Polarizability: 65.2±0.5 10-24cm3
    Surface Tension: 66.6±5.0 dyne/cm
    Molar Volume: 426.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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