ChemSpider 2D Image | Darapladib | C36H38F4N4O2S

Darapladib

  • Molecular FormulaC36H38F4N4O2S
  • Average mass666.771 Da
  • Monoisotopic mass666.265137 Da
  • ChemSpider ID8115230

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

1H-Cyclopenta[d]pyrimidine-1-acetamide, N-[2-(diethylamino)ethyl]-2-[[(4-fluorophenyl)methyl]thio]-4,5,6,7-tetrahydro-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
356057-34-6 [RN]
N-[2-(Diethylamino)ethyl]-2-{2-[(4-fluorbenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[4'-(trifluormethyl)-4-biphenylyl]methyl}acetamid [German] [ACD/IUPAC Name]
N-[2-(Diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[4'-(trifluoromethyl)-4-biphenylyl]methyl}acetamide [ACD/IUPAC Name]
N-[2-(Diéthylamino)éthyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tétrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[4'-(trifluorométhyl)-4-biphénylyl]méthyl}acétamide [French] [ACD/IUPAC Name]
1-[[[N-[2-(Diethylamino)ethyl]-N-[4-[4-(trifluoromethyl)phenyl]benzyl]amino]carbonyl]methyl]-2-(4-fluorobenzylthio)-5,6-trimethylenepyrimidin-4-one
1H-Cyclopentapyrimidine-1-acetamide, N-[2-(diethylamino)ethyl]-2-[[(4-fluorophenyl)methyl]thio]-4,5,6,7-tetrahydro-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-
CHEMBL204021
Darapladib (USAN)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SB-480848 [DBID]
D03650 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 741.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 401.9±35.7 °C
Index of Refraction: 1.594
Molar Refractivity: 179.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 194.80
ACD/KOC (pH 5.5): 222.67
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 4990.67
ACD/KOC (pH 7.4): 5704.60
Polar Surface Area: 82 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 529.6±7.0 cm3

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