ChemSpider 2D Image | AB-FUBICA | C21H22FN3O2

AB-FUBICA

  • Molecular FormulaC21H22FN3O2
  • Average mass367.417 Da
  • Monoisotopic mass367.169617 Da
  • ChemSpider ID57427397
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Indole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-[(4-fluorophenyl)methyl]- [ACD/Index Name]
AB-FUBICA [Wiki]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorbenzyl)-1H-indol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indole-3-carboxamide [French] [ACD/IUPAC Name]
(2S)-2-({1-[(4-FLUOROPHENYL)METHYL]-1H-INDOL-3-YL}FORMAMIDO)-3-METHYLBUTANAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 663.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.8±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 101.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.35
ACD/KOC (pH 5.5): 1067.05
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.35
ACD/KOC (pH 7.4): 1067.05
Polar Surface Area: 77 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 293.0±7.0 cm3

Click to predict properties on the Chemicalize site






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