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Search term: SOUVIYRQMIWZAJ-QHCPKHFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-(2-Fluoroethoxy)-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid | C27H35FN2O4

2-(2-Fluoroethoxy)-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid

  • Molecular FormulaC27H35FN2O4
  • Average mass470.576 Da
  • Monoisotopic mass470.258087 Da
  • ChemSpider ID23250910

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(2-Fluorethoxy)-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoesäure [German] [ACD/IUPAC Name]
2-(2-Fluoroethoxy)-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid [ACD/IUPAC Name]
2-(2-fluoroethoxy)-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid
Acide 2-(2-fluoroéthoxy)-4-[2-({(1S)-3-méthyl-1-[2-(1-pipéridinyl)phényl]butyl}amino)-2-oxoéthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(2-fluoroethoxy)-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]- [ACD/Index Name]
2-(2-Fluoro-ethoxy)-4-{[(S)-3-methyl-1-(2-piperidin-1-yl-phenyl)-butylcarbamoyl]-methyl}-benzoic acid
CHEMBL186684

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.6±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 10.49
ACD/KOC (pH 5.5): 41.53
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 6.98
Polar Surface Area: 79 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 403.3±3.0 cm3

Click to predict properties on the Chemicalize site


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