ChemSpider 2D Image | 2-{2-[(2,3-Difluorobenzyl)sulfanyl]-7-[3-(4-morpholinyl)propyl]-4-oxo-1(4H)-quinolinyl}-N-methyl-N-{[4'-(trifluoromethyl)-4-biphenylyl]methyl}acetamide | C40H38F5N3O3S

2-{2-[(2,3-Difluorobenzyl)sulfanyl]-7-[3-(4-morpholinyl)propyl]-4-oxo-1(4H)-quinolinyl}-N-methyl-N-{[4'-(trifluoromethyl)-4-biphenylyl]methyl}acetamide

  • Molecular FormulaC40H38F5N3O3S
  • Average mass735.805 Da
  • Monoisotopic mass735.255432 Da
  • ChemSpider ID8351297

More details:

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

1(4H)-Quinolineacetamide, 2-[[(2,3-difluorophenyl)methyl]thio]-N-methyl-7-[3-(4-morpholinyl)propyl]-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
2-{2-[(2,3-Difluorbenzyl)sulfanyl]-7-[3-(4-morpholinyl)propyl]-4-oxo-1(4H)-chinolinyl}-N-methyl-N-{[4'-(trifluormethyl)-4-biphenylyl]methyl}acetamid [German] [ACD/IUPAC Name]
2-{2-[(2,3-Difluorobenzyl)sulfanyl]-7-[3-(4-morpholinyl)propyl]-4-oxo-1(4H)-quinoléinyl}-N-méthyl-N-{[4'-(trifluorométhyl)-4-biphénylyl]méthyl}acétamide [French] [ACD/IUPAC Name]
2-{2-[(2,3-Difluorobenzyl)sulfanyl]-7-[3-(4-morpholinyl)propyl]-4-oxo-1(4H)-quinolinyl}-N-methyl-N-{[4'-(trifluoromethyl)-4-biphenylyl]methyl}acetamide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 799.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.4±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 192.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 1772.07
ACD/KOC (pH 5.5): 2143.71
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 67516.52
ACD/KOC (pH 7.4): 81676.30
Polar Surface Area: 78 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 536.5±5.0 cm3

Click to predict properties on the Chemicalize site


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