ChemSpider 2D Image | Rilapladib | C40H38F5N3O3S

Rilapladib

  • Molecular FormulaC40H38F5N3O3S
  • Average mass735.805 Da
  • Monoisotopic mass735.255432 Da
  • ChemSpider ID8094027

More details:






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

1(4H)-Quinolineacetamide, 2-[[(2,3-difluorophenyl)methyl]thio]-N-[1-(2-methoxyethyl)-4-piperidinyl]-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
2-(2-{[(2,3-difluorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinolin-1-yl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-N-{[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methyl}acetamide
2-{2-[(2,3-Difluorbenzyl)sulfanyl]-4-oxo-1(4H)-chinolinyl}-N-[1-(2-methoxyethyl)-4-piperidinyl]-N-{[4'-(trifluormethyl)-4-biphenylyl]methyl}acetamid [German] [ACD/IUPAC Name]
2-{2-[(2,3-Difluorobenzyl)sulfanyl]-4-oxo-1(4H)-quinoléinyl}-N-[1-(2-méthoxyéthyl)-4-pipéridinyl]-N-{[4'-(trifluorométhyl)-4-biphénylyl]méthyl}acétamide [French] [ACD/IUPAC Name]
2-{2-[(2,3-Difluorobenzyl)sulfanyl]-4-oxo-1(4H)-quinolinyl}-N-[1-(2-methoxyethyl)-4-piperidinyl]-N-{[4'-(trifluoromethyl)-4-biphenylyl]methyl}acetamide [ACD/IUPAC Name]
412950-08-4 [RN]
O14CWE893Z
Rilapladib [USAN]
[412950-08-4] [RN]
2-(2-((2,3-Difluorobenzyl)thio)-4-oxoquinolin-1(4H)-yl)-N-(1-(2-methoxyethyl)piperidin-4-yl)-N-((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methyl)acetamide
More...

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

8704 [DBID]
SB-659032 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 768.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.7±32.9 °C
Index of Refraction: 1.636
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: 8.32
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 1507.34
ACD/KOC (pH 5.5): 1667.65
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 68784.34
ACD/KOC (pH 7.4): 76100.12
Polar Surface Area: 78 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 537.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement