ChemSpider 2D Image | trans-4-[(3-{2-[(4-Fluorobenzyl)carbamoyl]-6-methyl-4-pyridinyl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid | C24H26FN5O3

trans-4-[(3-{2-[(4-Fluorobenzyl)carbamoyl]-6-methyl-4-pyridinyl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid

  • Molecular FormulaC24H26FN5O3
  • Average mass451.493 Da
  • Monoisotopic mass451.201965 Da
  • ChemSpider ID26325487

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-méthyl-4-pyridinyl}-1H-1,2,4-triazol-1-yl)méthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[3-[2-[[[(4-fluorophenyl)methyl]amino]carbonyl]-6-methyl-4-pyridinyl]-1H-1,2,4-triazol-1-yl]methyl]-, trans- [ACD/Index Name]
trans-4-[(3-{2-[(4-Fluorbenzyl)carbamoyl]-6-methyl-4-pyridinyl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-[(3-{2-[(4-Fluorobenzyl)carbamoyl]-6-methyl-4-pyridinyl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid
3EK

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 16.91
ACD/KOC (pH 5.5): 155.47
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.49
Polar Surface Area: 110 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 328.0±7.0 cm3

Click to predict properties on the Chemicalize site


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