ChemSpider 2D Image | 2-(4-Biphenylyl)-1-(3-isopropyl-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethanone | C23H26N4O

2-(4-Biphenylyl)-1-(3-isopropyl-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethanone

  • Molecular FormulaC23H26N4O
  • Average mass374.479 Da
  • Monoisotopic mass374.210663 Da
  • ChemSpider ID22192232

More details:

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

2-(4-Biphenylyl)-1-(3-isopropyl-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethanon [German] [ACD/IUPAC Name]
2-(4-Biphenylyl)-1-(3-isopropyl-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethanone [ACD/IUPAC Name]
2-(4-Biphénylyl)-1-(3-isopropyl-5,6,8,9-tétrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazépin-7-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[1,1'-biphenyl]-4-yl-1-[5,6,8,9-tetrahydro-3-(1-methylethyl)-7H-1,2,4-triazolo[4,3-d][1,4]diazepin-7-yl]- [ACD/Index Name]
7-(4-biphenylylacetyl)-3-isopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 630.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.3±3.0 kJ/mol
    Flash Point: 335.4±34.3 °C
    Index of Refraction: 1.635
    Molar Refractivity: 112.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.29
    ACD/LogD (pH 5.5): 3.20
    ACD/BCF (pH 5.5): 158.96
    ACD/KOC (pH 5.5): 1306.70
    ACD/LogD (pH 7.4): 3.20
    ACD/BCF (pH 7.4): 160.37
    ACD/KOC (pH 7.4): 1318.30
    Polar Surface Area: 51 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 46.2±7.0 dyne/cm
    Molar Volume: 315.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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