ChemSpider 2D Image | N-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]carbonyl}-L-valine | C20H20FN3O3

N-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]carbonyl}-L-valine

  • Molecular FormulaC20H20FN3O3
  • Average mass369.389 Da
  • Monoisotopic mass369.148865 Da
  • ChemSpider ID68025549
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Valine, N-[[1-[(4-fluorophenyl)methyl]-1H-indazol-3-yl]carbonyl]- [ACD/Index Name]
N-{[1-(4-Fluorbenzyl)-1H-indazol-3-yl]carbonyl}-L-valin [German] [ACD/IUPAC Name]
N-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]carbonyl}-L-valine [ACD/IUPAC Name]
N-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]carbonyl}-L-valine [French] [ACD/IUPAC Name]
(2S)-2-({1-[(4-FLUOROPHENYL)METHYL]-1H-INDAZOL-3-YL}FORMAMIDO)-3-METHYLBUTANOIC ACID
(2S)-2-({1-[(4-FLUOROPHENYL)METHYL]INDAZOL-3-YL}FORMAMIDO)-3-METHYLBUTANOIC ACID
1877243-60-1 [RN]
AB-FUBINACA metabolite 3
Schembl21178772

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.1±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 99.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.59
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 282.1±7.0 cm3

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