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

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]
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
1185282-03-4 [RN]
app-fubinaca rm
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
N-{[1-(4-methylbenzyl)-1H-indazol-3-yl]carbonyl}phenylalaninamide [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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