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Search term: HBFSMPCGWRKQGZ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | {4-[({[1-(4-Fluorobenzoyl)-3-piperidinyl]carbonyl}amino)methyl]-1H-1,2,3-triazol-1-yl}acetic acid | C18H20FN5O4

{4-[({[1-(4-Fluorobenzoyl)-3-piperidinyl]carbonyl}amino)methyl]-1H-1,2,3-triazol-1-yl}acetic acid

  • Molecular FormulaC18H20FN5O4
  • Average mass389.381 Da
  • Monoisotopic mass389.149933 Da
  • ChemSpider ID54659836

More details:

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

{4-[({[1-(4-Fluorbenzoyl)-3-piperidinyl]carbonyl}amino)methyl]-1H-1,2,3-triazol-1-yl}essigsäure [German] [ACD/IUPAC Name]
{4-[({[1-(4-Fluorobenzoyl)-3-piperidinyl]carbonyl}amino)methyl]-1H-1,2,3-triazol-1-yl}acetic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-1-acetic acid, 4-[[[[1-(4-fluorobenzoyl)-3-piperidinyl]carbonyl]amino]methyl]- [ACD/Index Name]
Acide {4-[({[1-(4-fluorobenzoyl)-3-pipéridinyl]carbonyl}amino)méthyl]-1H-1,2,3-triazol-1-yl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 264.4±7.0 cm3

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