ChemSpider 2D Image | Ethyl {5-[3-({3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoyl}amino)phenyl]-2H-tetrazol-2-yl}acetate | C23H23N7O5

Ethyl {5-[3-({3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoyl}amino)phenyl]-2H-tetrazol-2-yl}acetate

  • Molecular FormulaC23H23N7O5
  • Average mass477.473 Da
  • Monoisotopic mass477.176056 Da
  • ChemSpider ID32512960

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{5-[3-({3-[(3S)-2,5-Dioxo-2,3,4,5-tétrahydro-1H-1,4-benzodiazépin-3-yl]propanoyl}amino)phényl]-2H-tétrazol-2-yl}acétate d'éthyle [French] [ACD/IUPAC Name]
2H-Tetrazole-2-acetic acid, 5-[3-[[1-oxo-3-[(3S)-2,3,4,5-tetrahydro-2,5-dioxo-1H-1,4-benzodiazepin-3-yl]propyl]amino]phenyl]-, ethyl ester [ACD/Index Name]
Ethyl {5-[3-({3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoyl}amino)phenyl]-2H-tetrazol-2-yl}acetate [ACD/IUPAC Name]
Ethyl-{5-[3-({3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoyl}amino)phenyl]-2H-tetrazol-2-yl}acetat [German] [ACD/IUPAC Name]
(S)-ethyl 2-(5-(3-(3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)propanamido)phenyl)-2H-tetrazol-2-yl)acetate
1630928-50-5 [RN]
ethyl 2-[5-[3-[3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoylamino]phenyl]tetrazol-2-yl]acetate
MolPort-035-702-621

    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: 1.705
    Molar Refractivity: 125.2±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 0.74
    ACD/LogD (pH 5.5): 0.66
    ACD/BCF (pH 5.5): 1.87
    ACD/KOC (pH 5.5): 54.39
    ACD/LogD (pH 7.4): 0.66
    ACD/BCF (pH 7.4): 1.87
    ACD/KOC (pH 7.4): 54.39
    Polar Surface Area: 157 Å2
    Polarizability: 49.7±0.5 10-24cm3
    Surface Tension: 63.8±7.0 dyne/cm
    Molar Volume: 322.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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