ChemSpider 2D Image | 1-BOC-3-[1-(4-FLUORO-BENZYL)-1H-BENZOIMIDAZOL-2-YLAMINO]-AZETIDINE | C22H25FN4O2

1-BOC-3-[1-(4-FLUORO-BENZYL)-1H-BENZOIMIDAZOL-2-YLAMINO]-AZETIDINE

  • Molecular FormulaC22H25FN4O2
  • Average mass396.458 Da
  • Monoisotopic mass396.196167 Da
  • ChemSpider ID28559242

More details:

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

1-Azetidinecarboxylic acid, 3-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
1-BOC-3-[1-(4-FLUORO-BENZYL)-1H-BENZOIMIDAZOL-2-YLAMINO]-AZETIDINE
2-Methyl-2-propanyl 3-{[1-(4-fluorobenzyl)-1H-benzimidazol-2-yl]amino}-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[1-(4-fluorbenzyl)-1H-benzimidazol-2-yl]amino}-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-{[1-(4-Fluorobenzyl)-1H-benzimidazol-2-yl]amino}-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
885276-28-8 [RN]
[885276-28-8] [RN]
1-AZETIDINECARBOXYLICACID, 3-[[1-[(4-FLUOROPHENYL)METHYL]-1H-BENZIMIDAZOL-2-YL]AMINO]-,1,1-DIMETHYLETHYL ESTER
1-boc-3-[1-(4-fluorobenzyl)-1h-benzo[d]imidazol-2-ylamino]azetidine
1-boc-3-[1-(4-fluorobenzyl)-1h-benzo[d]imidazol-2-ylamino]-azetidine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 557.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.0±3.0 kJ/mol
    Flash Point: 291.2±32.9 °C
    Index of Refraction: 1.619
    Molar Refractivity: 109.8±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.90
    ACD/LogD (pH 5.5): 3.59
    ACD/BCF (pH 5.5): 219.91
    ACD/KOC (pH 5.5): 1089.04
    ACD/LogD (pH 7.4): 4.20
    ACD/BCF (pH 7.4): 915.29
    ACD/KOC (pH 7.4): 4532.63
    Polar Surface Area: 59 Å2
    Polarizability: 43.5±0.5 10-24cm3
    Surface Tension: 44.8±7.0 dyne/cm
    Molar Volume: 312.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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