ChemSpider 2D Image | 2-[(3S)-2,5-Dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[3-(2-furyl)-1H-1,2,4-triazol-5-yl]acetamide | C17H14N6O4

2-[(3S)-2,5-Dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[3-(2-furyl)-1H-1,2,4-triazol-5-yl]acetamide

  • Molecular FormulaC17H14N6O4
  • Average mass366.331 Da
  • Monoisotopic mass366.107666 Da
  • ChemSpider ID32512371

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-1,4-Benzodiazepine-3-acetamide, N-[3-(2-furanyl)-1H-1,2,4-triazol-5-yl]-2,3,4,5-tetrahydro-2,5-dioxo-, (3S)- [ACD/Index Name]
2-[(3S)-2,5-Dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[3-(2-furyl)-1H-1,2,4-triazol-5-yl]acetamid [German] [ACD/IUPAC Name]
2-[(3S)-2,5-Dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[3-(2-furyl)-1H-1,2,4-triazol-5-yl]acetamide [ACD/IUPAC Name]
2-[(3S)-2,5-Dioxo-2,3,4,5-tétrahydro-1H-1,4-benzodiazépin-3-yl]-N-[3-(2-furyl)-1H-1,2,4-triazol-5-yl]acétamide [French] [ACD/IUPAC Name]
1630922-31-4 [RN]
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]acetamide

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.651
    Molar Refractivity: 91.4±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: -0.75
    ACD/LogD (pH 5.5): 0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 29.10
    ACD/LogD (pH 7.4): 0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 29.05
    Polar Surface Area: 142 Å2
    Polarizability: 36.2±0.5 10-24cm3
    Surface Tension: 70.0±3.0 dyne/cm
    Molar Volume: 250.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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