ChemSpider 2D Image | (2'S,3S,3'S,10b'R)-3'-(4-Methylbenzoyl)-2'-(3-pyridinylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one | C33H25N3O3

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

  • Molecular FormulaC33H25N3O3
  • Average mass511.570 Da
  • Monoisotopic mass511.189606 Da
  • ChemSpider ID22872977

  • 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-pyridinylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one [ACD/IUPAC Name]
(2'S,3S,3'S,10b'R)-3'-(4-Methylbenzoyl)-2'-(pyridin-3-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Spiro[3H-indole-3,1'(10'bH)-pyrrolo[2,1-a]isoquinolin]-2(1H)-one, 2',3'-dihydro-3'-(4-methylbenzoyl)-2'-(3-pyridinylcarbonyl)-, (2'S,3S,3'S,10b'R)- [ACD/Index Name]
(2'S,3S,3'S,10'bR)-3'-(4-methylbenzoyl)-2'-(pyridine-3-carbonyl)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'-(pyridin-3-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
1177136-69-4 [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: 783.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 114.0±3.0 kJ/mol
    Flash Point: 427.9±32.9 °C
    Index of Refraction: 1.734
    Molar Refractivity: 146.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 7.16
    ACD/LogD (pH 5.5): 5.59
    ACD/BCF (pH 5.5): 10445.92
    ACD/KOC (pH 5.5): 26180.75
    ACD/LogD (pH 7.4): 5.59
    ACD/BCF (pH 7.4): 10476.63
    ACD/KOC (pH 7.4): 26257.73
    Polar Surface Area: 79 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 74.6±5.0 dyne/cm
    Molar Volume: 365.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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