ChemSpider 2D Image | SGD-1882 | C42H39N5O7

SGD-1882

  • Molecular FormulaC42H39N5O7
  • Average mass725.788 Da
  • Monoisotopic mass725.284973 Da
  • ChemSpider ID52084730

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(11aS)-2-(4-Aminophenyl)-7-methoxy-8-(3-{[(11aS)-7-methoxy-2-(4-methoxyphenyl)-5-oxo-5,11a-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propoxy)-1,11a-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazep in-5-on [German] [ACD/IUPAC Name]
(11aS)-2-(4-Aminophenyl)-7-methoxy-8-(3-{[(11aS)-7-methoxy-2-(4-methoxyphenyl)-5-oxo-5,11a-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propoxy)-1,11a-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazep in-5-one [ACD/IUPAC Name]
(11aS)-2-(4-Aminophényl)-7-méthoxy-8-(3-{[(11aS)-7-méthoxy-2-(4-méthoxyphényl)-5-oxo-5,11a-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazépin-8-yl]oxy}propoxy)-1,11a-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazép in-5-one [French] [ACD/IUPAC Name]
(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
1222490-34-7 [RN]
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 2-(4-aminophenyl)-8-[3-[[(11aS)-5,11a-dihydro-7-methoxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]propoxy]-1,11a-dihydro-7-metho xy-, (11aS)- [ACD/Index Name]
IRE1I9FE08
SGD-1882
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 2-(4-aminophenyl)-8-[3-[[(11aS)-5,11a-dihydro-7-methoxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]propoxy]-1,11a-dihydro-7-methoxy-, (11aS)-
MFCD27952508
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 977.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 142.7±3.0 kJ/mol
    Flash Point: 545.1±34.3 °C
    Index of Refraction: 1.676
    Molar Refractivity: 199.8±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): 3.50
    ACD/BCF (pH 5.5): 254.73
    ACD/KOC (pH 5.5): 1725.43
    ACD/LogD (pH 7.4): 3.59
    ACD/BCF (pH 7.4): 316.00
    ACD/KOC (pH 7.4): 2140.46
    Polar Surface Area: 138 Å2
    Polarizability: 79.2±0.5 10-24cm3
    Surface Tension: 53.7±7.0 dyne/cm
    Molar Volume: 530.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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