ChemSpider 2D Image | 2'-Ethyl 1-(2-methyl-2-propanyl) 1H,8'H-spiro[piperidine-4,5'-[1,2,4]triazolo[5,1-c][1,4]oxazine]-1,2'-dicarboxylate | C17H26N4O5

2'-Ethyl 1-(2-methyl-2-propanyl) 1H,8'H-spiro[piperidine-4,5'-[1,2,4]triazolo[5,1-c][1,4]oxazine]-1,2'-dicarboxylate

  • Molecular FormulaC17H26N4O5
  • Average mass366.412 Da
  • Monoisotopic mass366.190308 Da
  • ChemSpider ID48064096

More details:

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

2'-Ethyl 1-(2-methyl-2-propanyl) 1H,8'H-spiro[piperidine-4,5'-[1,2,4]triazolo[5,1-c][1,4]oxazine]-1,2'-dicarboxylate [ACD/IUPAC Name]
Spiro[piperidine-4,5'(6'H)-[8H][1,2,4]triazolo[5,1-c][1,4]oxazine]-1,2'-dicarboxylic acid, 1-(1,1-dimethylethyl) 2'-ethyl ester [ACD/Index Name]
1273567-97-7 [RN]
1'-t-Butyl 2-ethyl 6,8-dihydrospiro[[1,2,4]triazolo[5,1-c][1,4]oxazine-5,4'-piperidine]-1',2-dicarboxylate
1'-tert-butyl 2-ethyl 6,8-dihydrospiro[[1,2,4]triazolo[5,1-c][1,4]oxazine-5,4'-piperidine]-1',2-dicarboxylate
1-Tert-Butyl 2-Ethyl 6,8-Dihydrospiro[[1,2,4]Triazolo[5,1-C][1,4]Oxazine-5,4-Piperidine]-1,2-Dicarboxylate(WX105716)
MFCD18793150
N1(CCC2(CC1)COCC1=NC(=NN21)C(=O)OCC)C(=O)OC(C)(C)C

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 536.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.3±3.0 kJ/mol
    Flash Point: 278.1±32.9 °C
    Index of Refraction: 1.601
    Molar Refractivity: 93.5±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.02
    ACD/LogD (pH 5.5): 2.01
    ACD/BCF (pH 5.5): 19.73
    ACD/KOC (pH 5.5): 294.21
    ACD/LogD (pH 7.4): 2.01
    ACD/BCF (pH 7.4): 19.73
    ACD/KOC (pH 7.4): 294.21
    Polar Surface Area: 96 Å2
    Polarizability: 37.1±0.5 10-24cm3
    Surface Tension: 49.1±7.0 dyne/cm
    Molar Volume: 273.0±7.0 cm3

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