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Search term: SENBJMMSGVHUDH-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [4-({3-[3-Benzyl-8-(trifluoromethyl)-4-quinolinyl]benzyl}amino)phenyl]acetic acid | C32H25F3N2O2

[4-({3-[3-Benzyl-8-(trifluoromethyl)-4-quinolinyl]benzyl}amino)phenyl]acetic acid

  • Molecular FormulaC32H25F3N2O2
  • Average mass526.548 Da
  • Monoisotopic mass526.186829 Da
  • ChemSpider ID17248944

More details:

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

[4-({3-[3-Benzyl-8-(trifluormethyl)-4-chinolinyl]benzyl}amino)phenyl]essigsäure [German] [ACD/IUPAC Name]
[4-({3-[3-Benzyl-8-(trifluoromethyl)-4-quinolinyl]benzyl}amino)phenyl]acetic acid [ACD/IUPAC Name]
Acide [4-({3-[3-benzyl-8-(trifluorométhyl)-4-quinoléinyl]benzyl}amino)phényl]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[[[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]methyl]amino]- [ACD/Index Name]
[4-({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]benzyl}amino)phenyl]acetic acid
2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl)benzylamino)phenyl)acetic acid
Quinoline 17

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

Density: 1.3±0.1 g/cm3
Boiling Point: 680.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.2±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 12297.67
ACD/KOC (pH 5.5): 15347.43
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 200.44
ACD/KOC (pH 7.4): 250.15
Polar Surface Area: 62 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 402.6±3.0 cm3

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