ChemSpider 2D Image | 11-{3-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol | C28H31N5O4

11-{3-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol

  • Molecular FormulaC28H31N5O4
  • Average mass501.577 Da
  • Monoisotopic mass501.237610 Da
  • ChemSpider ID12810893

More details:

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

11-{3-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol [ACD/IUPAC Name]
11-{3-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol [German] [ACD/IUPAC Name]
11-{3-[(3,5-Diméthyl-4-nitro-1H-pyrazol-1-yl)méthyl]-4-méthoxyphényl}-3,3-diméthyl-3,4,10,11-tétrahydro-2H-dibenzo[b,e][1,4]diazépin-1-ol [French] [ACD/IUPAC Name]
2H-Dibenzo[b,e][1,4]diazepin-1-ol, 11-[3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]-3,4,10,11-tetrahydro-3,3-dimethyl- [ACD/Index Name]
11-(3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
11-[3-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-4-methoxy-phenyl]-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
944779-71-9 [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: 682.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.2±3.0 kJ/mol
    Flash Point: 366.7±31.5 °C
    Index of Refraction: 1.666
    Molar Refractivity: 139.5±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 4.59
    ACD/LogD (pH 5.5): 4.28
    ACD/BCF (pH 5.5): 859.74
    ACD/KOC (pH 5.5): 3482.31
    ACD/LogD (pH 7.4): 4.59
    ACD/BCF (pH 7.4): 1766.26
    ACD/KOC (pH 7.4): 7154.08
    Polar Surface Area: 117 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 51.0±7.0 dyne/cm
    Molar Volume: 375.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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