Found 489 results

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

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

  • Molecular FormulaC33H29N3O5
  • Average mass547.601 Da
  • Monoisotopic mass547.210693 Da
  • ChemSpider ID21331593

More details:

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

{1-Hydroxy-3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)-2-furyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanon [German] [ACD/IUPAC Name]
{1-Hydroxy-3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)-2-furyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone [ACD/IUPAC Name]
{1-Hydroxy-3,3-diméthyl-11-[5-(2-méthyl-4-nitrophényl)-2-furyl]-2,3,4,11-tétrahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl}(phényl)méthanone [French] [ACD/IUPAC Name]
Methanone, phenyl[2,3,4,11-tetrahydro-1-hydroxy-3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)-2-furanyl]-10H-dibenzo[b,e][1,4]diazepin-10-yl]- [ACD/Index Name]
(1-hydroxy-3,3-dimethyl-11-(5-(2-methyl-4-nitrophenyl)furan-2-yl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)(phenyl)methanone
{1-hydroxy-3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone
671766-18-0 [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: 707.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.6±3.0 kJ/mol
    Flash Point: 381.6±32.9 °C
    Index of Refraction: 1.667
    Molar Refractivity: 155.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 7.60
    ACD/LogD (pH 5.5): 6.49
    ACD/BCF (pH 5.5): 49883.46
    ACD/KOC (pH 5.5): 79951.18
    ACD/LogD (pH 7.4): 6.49
    ACD/BCF (pH 7.4): 49876.34
    ACD/KOC (pH 7.4): 79939.77
    Polar Surface Area: 112 Å2
    Polarizability: 61.5±0.5 10-24cm3
    Surface Tension: 52.6±7.0 dyne/cm
    Molar Volume: 416.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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