ChemSpider 2D Image | AB-FUBINACA | C20H21FN4O2

AB-FUBINACA

  • Molecular FormulaC20H21FN4O2
  • Average mass368.405 Da
  • Monoisotopic mass368.164856 Da
  • ChemSpider ID28537614
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(S)-N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide
1185282-01-2 [RN]
1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-[(4-fluorophenyl)methyl]- [ACD/Index Name]
AB-FUBINACA [Wiki]
I7PZF0KTFK
N-((1S)-1-(AMINOCARBONYL)-2-METHYLPROPYL]-1-((4-FLUOROPHENYL)METHYL)-1H-INDAZOLE-3-CARBOXAMIDE
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorbenzyl)-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-[(4-fluorophenyl)methyl]-1H-indazole-3-carboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 659.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.5±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 100.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.37
ACD/KOC (pH 5.5): 437.72
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.34
ACD/KOC (pH 7.4): 437.35
Polar Surface Area: 90 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 281.6±7.0 cm3

Click to predict properties on the Chemicalize site





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