ChemSpider 2D Image | APP-FUBINACA | C24H21FN4O2

APP-FUBINACA

  • Molecular FormulaC24H21FN4O2
  • Average mass416.448 Da
  • Monoisotopic mass416.164856 Da
  • ChemSpider ID58789142

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1185282-03-4 [RN]
1H-Indazole-3-carboxamide, N-[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-1-[(4-fluorophenyl)methyl]- [ACD/Index Name]
APP-FUBINACA [ACD/IUPAC Name] [Wiki]
N-[(1S)-2-Amino-2-oxo-1-(phenylmethyl)ethyl]-1-[(4-fluorophenyl)methyl]-1H-indazole-3-carboxamide
Nα-{[1-(4-Fluorbenzyl)-1H-indazol-3-yl]carbonyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]carbonyl}-L-phenylalaninamide [ACD/IUPAC Name]
Nα-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]carbonyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]
(2S)-2-({1-[(4-FLUOROPHENYL)METHYL]-1H-INDAZOL-3-YL}FORMAMIDO)-3-PHENYLPROPANAMIDE
app-fubinaca rm
APP-FUBINACARM
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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: 741.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.1±3.0 kJ/mol
    Flash Point: 402.1±32.9 °C
    Index of Refraction: 1.651
    Molar Refractivity: 116.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.46
    ACD/LogD (pH 5.5): 2.97
    ACD/BCF (pH 5.5): 105.64
    ACD/KOC (pH 5.5): 977.82
    ACD/LogD (pH 7.4): 2.96
    ACD/BCF (pH 7.4): 105.55
    ACD/KOC (pH 7.4): 977.04
    Polar Surface Area: 90 Å2
    Polarizability: 46.2±0.5 10-24cm3
    Surface Tension: 51.4±7.0 dyne/cm
    Molar Volume: 319.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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