Found 489 results

Search term: MF = 'C_{33}H_{29}N_{3}O_{5}'
ChemSpider 2D Image | 1-{1-Hydroxy-3,3-dimethyl-11-[5-(4-nitrophenyl)-2-furyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2-phenylethanone | C33H29N3O5

1-{1-Hydroxy-3,3-dimethyl-11-[5-(4-nitrophenyl)-2-furyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2-phenylethanone

  • Molecular FormulaC33H29N3O5
  • Average mass547.601 Da
  • Monoisotopic mass547.210693 Da
  • ChemSpider ID21336577

More details:

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

1-{1-Hydroxy-3,3-dimethyl-11-[5-(4-nitrophenyl)-2-furyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2-phenylethanon [German] [ACD/IUPAC Name]
1-{1-Hydroxy-3,3-dimethyl-11-[5-(4-nitrophenyl)-2-furyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2-phenylethanone [ACD/IUPAC Name]
1-{1-Hydroxy-3,3-diméthyl-11-[5-(4-nitrophényl)-2-furyl]-2,3,4,11-tétrahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl}-2-phényléthanone [French] [ACD/IUPAC Name]
Ethanone, 2-phenyl-1-[2,3,4,11-tetrahydro-1-hydroxy-3,3-dimethyl-11-[5-(4-nitrophenyl)-2-furanyl]-10H-dibenzo[b,e][1,4]diazepin-10-yl]- [ACD/Index Name]
1-(1-hydroxy-3,3-dimethyl-11-(5-(4-nitrophenyl)furan-2-yl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-2-phenylethanone
1-{1-hydroxy-3,3-dimethyl-11-[5-(4-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2-phenylethanone

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 765.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.9±3.0 kJ/mol
    Flash Point: 416.7±32.9 °C
    Index of Refraction: 1.667
    Molar Refractivity: 155.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 7.08
    ACD/LogD (pH 5.5): 5.82
    ACD/BCF (pH 5.5): 15584.07
    ACD/KOC (pH 5.5): 34816.20
    ACD/LogD (pH 7.4): 5.82
    ACD/BCF (pH 7.4): 15524.89
    ACD/KOC (pH 7.4): 34684.00
    Polar Surface Area: 112 Å2
    Polarizability: 61.6±0.5 10-24cm3
    Surface Tension: 53.6±7.0 dyne/cm
    Molar Volume: 417.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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