ChemSpider 2D Image | N~3~-(2-Chloro-3H-purin-6-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-beta-alaninamide | C17H17ClN6O3

N3-(2-Chloro-3H-purin-6-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-β-alaninamide

  • Molecular FormulaC17H17ClN6O3
  • Average mass388.808 Da
  • Monoisotopic mass388.105072 Da
  • ChemSpider ID28823496

More details:

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

N3-(2-Chlor-3H-purin-6-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-β-alaninamid [German] [ACD/IUPAC Name]
N3-(2-Chloro-3H-purin-6-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-β-alaninamide [ACD/IUPAC Name]
N3-(2-Chloro-3H-purin-6-yl)-N-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-[(2-chloro-9H-purin-6-yl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- [ACD/Index Name]
1351699-43-8 [RN]
3-(2-Chloro-9H-purin-6-ylamino)-N-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-propionamide
3-[(2-chloro-7H-purin-6-yl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
AGN-PC-0DAZLA
AKOS016399425
MCULE-8551198764
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    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: 1.730
    Molar Refractivity: 101.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 2.64
    ACD/BCF (pH 5.5): 59.25
    ACD/KOC (pH 5.5): 640.31
    ACD/LogD (pH 7.4): 2.10
    ACD/BCF (pH 7.4): 16.92
    ACD/KOC (pH 7.4): 182.88
    Polar Surface Area: 114 Å2
    Polarizability: 40.1±0.5 10-24cm3
    Surface Tension: 81.6±3.0 dyne/cm
    Molar Volume: 253.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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