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Search term: HWAYQVLYHKHIPR-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 3,3'-difluoro-4'-{[(5-{[4-(2-fluoroethyl)-1-piperazinyl]carbonyl}-2-pyridinyl)amino]methyl}-2-biphenylcarboxylate | C27H27F3N4O3

Methyl 3,3'-difluoro-4'-{[(5-{[4-(2-fluoroethyl)-1-piperazinyl]carbonyl}-2-pyridinyl)amino]methyl}-2-biphenylcarboxylate

  • Molecular FormulaC27H27F3N4O3
  • Average mass512.523 Da
  • Monoisotopic mass512.203552 Da
  • ChemSpider ID23270173

More details:

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

[1,1'-biphenyl]-2-carboxylic acid, 3,3'-difluoro-4'-[[[5-[[4-(2-fluoroethyl)-1-piperazinyl]carbonyl]-2-pyridinyl]amino]methyl]-, methyl ester [ACD/Index Name]
3,3'-Difluoro-4'-{[(5-{[4-(2-fluoroéthyl)-1-pipérazinyl]carbonyl}-2-pyridinyl)amino]méthyl}-2-biphénylcarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3,3'-difluoro-4'-{[(5-{[4-(2-fluoroethyl)-1-piperazinyl]carbonyl}-2-pyridinyl)amino]methyl}-2-biphenylcarboxylate [ACD/IUPAC Name]
methyl 3,3'-difluoro-4'-{[(5-{[4-(2-fluoroethyl)piperazin-1-yl]carbonyl}pyridin-2-yl)amino]methyl}biphenyl-2-carboxylate
Methyl-3,3'-difluor-4'-{[(5-{[4-(2-fluorethyl)-1-piperazinyl]carbonyl}-2-pyridinyl)amino]methyl}-2-biphenylcarboxylat [German] [ACD/IUPAC Name]
3,3'-difluoro-4'-({5-[4-(2-fluoro-ethyl)-piperazine-1-carbonyl]-pyridin-2-ylamino}-methyl)-biphenyl-2-carboxylic acid methyl ester
CHEMBL382228
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL382228/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 676.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.7±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 75.84
ACD/KOC (pH 5.5): 580.81
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 201.44
ACD/KOC (pH 7.4): 1542.81
Polar Surface Area: 75 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 393.6±3.0 cm3

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