Darapladib

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Properties Simple | Detailed

Formula C36H38F4N4O2S
IUPAC Name n-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5h-cyclopenta[d]pyrimidin-1-ium-3-id-1-yl]-n-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
Molecular Mass 666.771 g·mol−1
Heat of Formation -869.2 ± 16.7 kJ·mol−1
Dipole Moment 7.72 ± 1.08 D
Volume 790.43 Å 3
Surface Area 593.86 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • d03650
  • darapladib (usan)
  • n-(2-diethylaminoethyl)-2-[2-[(4-fluorobenzyl)thio]-4-keto-6,7-dihydro-5h-cyclopenta[e]pyrimidin-1-yl]-n-[4-[4-(trifluoromethyl)phenyl]benzyl]acetamide
  • n-(2-diethylaminoethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5h-cyclopenta[e]pyrimidin-1-yl]-n-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
  • n-(2-diethylaminoethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5h-cyclopenta[e]pyrimidin-1-yl]-n-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide
  • n-(2-diethylaminoethyl)-2-[2-[(4-fluorophenyl)methylthio]-4-oxo-6,7-dihydro-5h-cyclopenta[e]pyrimidin-1-yl]-n-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CAS Number(s)
  • 356057-34-6
InChIKey WDPFJWLDPVQCAJ-UHFFFAOYSA-N
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