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Search term: KOTGODCEORJYIF-QAQDUYKDSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | trans-4-[(5-{2-[(4-Fluorobenzyl)carbamoyl]-6-methyl-4-pyridinyl}-2H-tetrazol-2-yl)methyl]cyclohexanecarboxylic acid | C23H25FN6O3

trans-4-[(5-{2-[(4-Fluorobenzyl)carbamoyl]-6-methyl-4-pyridinyl}-2H-tetrazol-2-yl)methyl]cyclohexanecarboxylic acid

  • Molecular FormulaC23H25FN6O3
  • Average mass452.481 Da
  • Monoisotopic mass452.197205 Da
  • ChemSpider ID24652676

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide trans-4-[(5-{2-[(4-fluorobenzyl)carbamoyl]-6-méthyl-4-pyridinyl}-2H-tétrazol-2-yl)méthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[5-[2-[[[(4-fluorophenyl)methyl]amino]carbonyl]-6-methyl-4-pyridinyl]-2H-tetrazol-2-yl]methyl]-, trans- [ACD/Index Name]
trans-4-[(5-{2-[(4-Fluorbenzyl)carbamoyl]-6-methyl-4-pyridinyl}-2H-tetrazol-2-yl)methyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-[(5-{2-[(4-Fluorobenzyl)carbamoyl]-6-methyl-4-pyridinyl}-2H-tetrazol-2-yl)methyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
(1r,4r)-4-((5-(2-((4-fluorobenzyl)carbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
1112172-72-1 [RN]
PF-80
trans-4-((5-(2-(4-fluorobenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid

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: 1.681
Molar Refractivity: 119.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 5.74
ACD/KOC (pH 5.5): 70.91
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 123 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 316.6±7.0 cm3

Click to predict properties on the Chemicalize site


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